CID 135666349

5-[(4-{2-[(aminothioxomethyl)amino]-2-azavinyl}phenyl)diazenyl]-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C15H13N5O3S
SMILES
C1=CC(=CC=C1/C=N/NC(=S)N)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H13N5O3S/c16-15(24)20-17-8-9-1-3-10(4-2-9)18-19-11-5-6-13(21)12(7-11)14(22)23/h1-8,21H,(H,22,23)(H3,16,20,24)/b17-8+,19-18?
InChIKey
KGQCTDZOCWUKOO-DERHTYLISA-N
Compound name
5-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08118 176.2
[M+Na]+ 366.06312 181.3
[M-H]- 342.06662 183.7
[M+NH4]+ 361.10772 188.3
[M+K]+ 382.03706 177.0
[M+H-H2O]+ 326.07116 166.5
[M+HCOO]- 388.07210 199.6
[M+CH3COO]- 402.08775 223.0
[M+Na-2H]- 364.04857 179.1
[M]+ 343.07335 175.9
[M]- 343.07445 175.9
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

No patent data available for this compound.