Glutaryl-phe-amc (C24H24N2O6)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCCC(=O)O

InChI

InChI=1S/C24H24N2O6/c1-15-12-23(30)32-20-14-17(10-11-18(15)20)25-24(31)19(13-16-6-3-2-4-7-16)26-21(27)8-5-9-22(28)29/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3,(H,25,31)(H,26,27)(H,28,29)/t19-/m0/s1

InChIKey

OTPFOMJAYSBYOD-IBGZPJMESA-N

Compound name

5-[[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

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]+	437.170696	204.3
[M+Na]+	459.152638	207.3
[M-H]-	435.156144	210.3
[M+NH4]+	454.197243	211.0
[M+K]+	475.126578	205.3
[M+H-H2O]+	419.160680	194.3
[M+HCOO]-	481.161621	222.1
[M+CH3COO]-	495.177271	233.8
[M+Na-2H]-	457.138086	205.0
[M]+	436.16287142	207.0
[M]-	436.16396858	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.170696

204.3

[M+Na]+

459.152638

207.3

[M-H]-

435.156144

210.3

[M+NH4]+

454.197243

211.0

[M+K]+

475.126578

205.3

[M+H-H2O]+

419.160680

194.3

[M+HCOO]-

481.161621

222.1

[M+CH3COO]-

495.177271

233.8

[M+Na-2H]-

457.138086

205.0

[M]+

436.16287142

207.0

[M]-

436.16396858

207.0

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

Glutaryl-phe-amc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe