CID 349088

2-((2-naphthylamino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H13NO3/c20-17(15-7-3-4-8-16(15)18(21)22)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20)(H,21,22)
InChIKey
HRQGBQARRPKYPR-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.8
[M+Na]+ 314.07876 171.2
[M-H]- 290.08226 171.0
[M+NH4]+ 309.12336 179.6
[M+K]+ 330.05270 166.7
[M+H-H2O]+ 274.08680 156.7
[M+HCOO]- 336.08774 186.0
[M+CH3COO]- 350.10339 202.3
[M+Na-2H]- 312.06421 170.1
[M]+ 291.08899 163.7
[M]- 291.09009 163.7
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

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