CID 46741362

2-amino-4-(1h-indol-4-yl)benzoic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC(=C2C=CNC2=C1)C3=CC(=C(C=C3)C(=O)O)N
InChI
InChI=1S/C15H12N2O2/c16-13-8-9(4-5-12(13)15(18)19)10-2-1-3-14-11(10)6-7-17-14/h1-8,17H,16H2,(H,18,19)
InChIKey
UWHWXHSMADOJLM-UHFFFAOYSA-N
Compound name
2-amino-4-(1H-indol-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 154.7
[M+Na]+ 275.07909 164.1
[M-H]- 251.08259 159.2
[M+NH4]+ 270.12369 171.6
[M+K]+ 291.05303 158.1
[M+H-H2O]+ 235.08713 147.7
[M+HCOO]- 297.08807 176.6
[M+CH3COO]- 311.10372 166.9
[M+Na-2H]- 273.06454 159.1
[M]+ 252.08932 153.2
[M]- 252.09042 153.2
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.