PubChemLite - N(sup 2)-dansyl-n-butyl-l-argininamide (C22H34N6O3S)

Structural Information

Molecular Formula

SMILES

CCCCNC(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

InChI

InChI=1S/C22H34N6O3S/c1-4-5-14-25-21(29)18(11-8-15-26-22(23)24)27-32(30,31)20-13-7-9-16-17(20)10-6-12-19(16)28(2)3/h6-7,9-10,12-13,18,27H,4-5,8,11,14-15H2,1-3H3,(H,25,29)(H4,23,24,26)

InChIKey

DJIACZZJKLGUFN-UHFFFAOYSA-N

Compound name

N-butyl-5-(diaminomethylideneamino)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanamide

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]+	463.24858	208.0
[M+Na]+	485.23052	207.8
[M-H]-	461.23402	211.8
[M+NH4]+	480.27512	216.0
[M+K]+	501.20446	205.5
[M+H-H2O]+	445.23856	198.0
[M+HCOO]-	507.23950	225.5
[M+CH3COO]-	521.25515	254.0
[M+Na-2H]-	483.21597	208.9
[M]+	462.24075	209.5
[M]-	462.24185	209.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.24858

208.0

[M+Na]+

485.23052

207.8

[M-H]-

461.23402

211.8

[M+NH4]+

480.27512

216.0

[M+K]+

501.20446

205.5

[M+H-H2O]+

445.23856

198.0

[M+HCOO]-

507.23950

225.5

[M+CH3COO]-

521.25515

254.0

[M+Na-2H]-

483.21597

208.9

[M]+

462.24075

209.5

[M]-

462.24185

209.5

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

N(sup 2)-dansyl-n-butyl-l-argininamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe