CID 3073249

N,n'-bis(serinyl)cystamine bis(trifluoroacetate)

Structural Information

Molecular Formula
C10H22N4O4S2
SMILES
C(CSSCCNC(=O)[C@H](CO)N)NC(=O)[C@H](CO)N
InChI
InChI=1S/C10H22N4O4S2/c11-7(5-15)9(17)13-1-3-19-20-4-2-14-10(18)8(12)6-16/h7-8,15-16H,1-6,11-12H2,(H,13,17)(H,14,18)/t7-,8-/m0/s1
InChIKey
AWHKUFLWHWJKSZ-YUMQZZPRSA-N
Compound name
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]ethyldisulfanyl]ethyl]-3-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10825 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11553 168.5
[M+Na]+ 349.09747 167.5
[M-H]- 325.10097 162.4
[M+NH4]+ 344.14207 178.5
[M+K]+ 365.07141 163.2
[M+H-H2O]+ 309.10551 159.9
[M+HCOO]- 371.10645 175.6
[M+CH3COO]- 385.12210 210.8
[M+Na-2H]- 347.08292 164.4
[M]+ 326.10770 165.9
[M]- 326.10880 165.9
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.