PubChemLite - Z-phe-arg-amc (C33H36N6O6)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H36N6O6/c1-21-17-29(40)45-28-19-24(14-15-25(21)28)37-30(41)26(13-8-16-36-32(34)35)38-31(42)27(18-22-9-4-2-5-10-22)39-33(43)44-20-23-11-6-3-7-12-23/h2-7,9-12,14-15,17,19,26-27H,8,13,16,18,20H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,34,35,36)

InChIKey

ZZGDDBWFXDMARY-UHFFFAOYSA-N

Compound name

benzyl N-[1-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	613.27693	247.1
[M+Na]+	635.25887	243.9
[M-H]-	611.26237	256.2
[M+NH4]+	630.30347	245.2
[M+K]+	651.23281	244.3
[M+H-H2O]+	595.26691	233.7
[M+HCOO]-	657.26785	266.6
[M+CH3COO]-	671.28350	280.2
[M+Na-2H]-	633.24432	246.0
[M]+	612.26910	247.0
[M]-	612.27020	247.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.27693

247.1

[M+Na]+

635.25887

243.9

[M-H]-

611.26237

256.2

[M+NH4]+

630.30347

245.2

[M+K]+

651.23281

244.3

[M+H-H2O]+

595.26691

233.7

[M+HCOO]-

657.26785

266.6

[M+CH3COO]-

671.28350

280.2

[M+Na-2H]-

633.24432

246.0

[M]+

612.26910

247.0

[M]-

612.27020

247.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Z-phe-arg-amc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe