CID 3088293

Glycinamide, glycyl-n-(2-mercaptoethyl)-, (2-2')-disulfide, bis(trifluoroacetate)

Structural Information

Molecular Formula
C10H18N4O3S2
SMILES
C1CSSCC[C@@H](C(=O)NC(=O)CNC(=O)[C@H]1N)N
InChI
InChI=1S/C10H18N4O3S2/c11-6-1-3-18-19-4-2-7(12)10(17)14-8(15)5-13-9(6)16/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15,17)/t6-,7-/m0/s1
InChIKey
MPZNGTYJWAGZAD-BQBZGAKWSA-N
Compound name
(5S,12S)-5,12-diamino-1,2-dithia-7,10-diazacyclotetradecane-6,8,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08203 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08931 165.3
[M+Na]+ 329.07125 169.3
[M-H]- 305.07475 159.9
[M+NH4]+ 324.11585 172.8
[M+K]+ 345.04519 163.3
[M+H-H2O]+ 289.07929 162.3
[M+HCOO]- 351.08023 167.3
[M+CH3COO]- 365.09588 192.5
[M+Na-2H]- 327.05670 160.4
[M]+ 306.08148 151.9
[M]- 306.08258 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.