CID 388109

Nsc682574

Structural Information

Molecular Formula
C15H12N4O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=CC=C3N
InChI
InChI=1S/C15H12N4O2/c16-11-7-3-1-5-9(11)14(20)19-18-13-10-6-2-4-8-12(10)17-15(13)21/h1-8,17,21H,16H2
InChIKey
JJBHGXUOVNZMRV-UHFFFAOYSA-N
Compound name
2-amino-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09604 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 159.7
[M+Na]+ 303.08526 168.5
[M-H]- 279.08876 166.9
[M+NH4]+ 298.12986 176.0
[M+K]+ 319.05920 163.8
[M+H-H2O]+ 263.09330 151.3
[M+HCOO]- 325.09424 186.8
[M+CH3COO]- 339.10989 172.1
[M+Na-2H]- 301.07071 166.2
[M]+ 280.09549 159.6
[M]- 280.09659 159.6
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.