CID 24851355

Firibastat

Structural Information

Molecular Formula
C8H20N2O6S4
SMILES
C(CS(=O)(=O)O)[C@@H](CSSC[C@H](CCS(=O)(=O)O)N)N
InChI
InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1
InChIKey
HJPXZXVKLGEMGP-YUMQZZPRSA-N
Compound name
(3S)-3-amino-4-[[(2S)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

126
Patents

368.02042 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02770 175.9
[M+Na]+ 391.00964 175.2
[M+NH4]+ 386.05424 178.0
[M+K]+ 406.98358 170.1
[M-H]- 367.01314 170.3
[M+Na-2H]- 388.99509 171.4
[M]+ 368.01987 175.1
[M]- 368.02097 175.1
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