CID 157808

(succinimidyl 6-[3-(2-pyridyldithio)propionamido]hexanoate)

Structural Information

Molecular Formula
C18H23N3O5S2
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2
InChI
InChI=1S/C18H23N3O5S2/c22-14(10-13-27-28-15-6-3-5-12-20-15)19-11-4-1-2-7-18(25)26-21-16(23)8-9-17(21)24/h3,5-6,12H,1-2,4,7-11,13H2,(H,19,22)
InChIKey
QYEAAMBIUQLHFQ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6636
Patents

425.1079 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.11518 197.2
[M+Na]+ 448.09712 200.8
[M-H]- 424.10062 199.6
[M+NH4]+ 443.14172 206.1
[M+K]+ 464.07106 195.6
[M+H-H2O]+ 408.10516 188.7
[M+HCOO]- 470.10610 205.8
[M+CH3COO]- 484.12175 222.2
[M+Na-2H]- 446.08257 193.0
[M]+ 425.10735 202.7
[M]- 425.10845 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe