CID 363907

Nsc629295

Structural Information

Molecular Formula
C20H15N3O3S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H15N3O3S/c24-19(25)17-8-4-5-9-18(17)27-20(26)21-14-10-12-16(13-11-14)23-22-15-6-2-1-3-7-15/h1-13H,(H,21,26)(H,24,25)
InChIKey
SGEMJGRKIQHCTC-UHFFFAOYSA-N
Compound name
2-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09068 187.1
[M+Na]+ 400.07262 192.1
[M-H]- 376.07612 197.7
[M+NH4]+ 395.11722 198.2
[M+K]+ 416.04656 187.2
[M+H-H2O]+ 360.08066 176.7
[M+HCOO]- 422.08160 209.1
[M+CH3COO]- 436.09725 223.0
[M+Na-2H]- 398.05807 190.7
[M]+ 377.08285 188.8
[M]- 377.08395 188.8
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.