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 169.5
[M+Na]+ 349.09747 168.4
[M+NH4]+ 344.14207 172.0
[M+K]+ 365.07141 165.4
[M-H]- 325.10097 165.9
[M+Na-2H]- 347.08292 166.2
[M]+ 326.10770 168.1
[M]- 326.10880 168.1
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.