CID 3056537

(3-indolylmethylene)anthranilic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C16H12N2O2/c19-16(20)13-6-2-4-8-15(13)18-10-11-9-17-14-7-3-1-5-12(11)14/h1-10,17H,(H,19,20)
InChIKey
HONQWNKYMIADOU-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethylideneamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.4
[M+Na]+ 287.07909 173.3
[M+NH4]+ 282.12369 167.3
[M+K]+ 303.05303 167.7
[M-H]- 263.08259 163.2
[M+Na-2H]- 285.06454 167.7
[M]+ 264.08932 162.4
[M]- 264.09042 162.4
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.