CID 668089

19368-13-9

Structural Information

Molecular Formula
C16H13NO4
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H13NO4/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChIKey
GASBNSDQMPFNPZ-UHFFFAOYSA-N
Compound name
2-[(4-acetylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.08447 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 162.6
[M+Na]+ 306.07369 168.6
[M-H]- 282.07719 168.2
[M+NH4]+ 301.11829 176.8
[M+K]+ 322.04763 165.6
[M+H-H2O]+ 266.08173 155.0
[M+HCOO]- 328.08267 184.3
[M+CH3COO]- 342.09832 200.8
[M+Na-2H]- 304.05914 164.6
[M]+ 283.08392 162.3
[M]- 283.08502 162.3
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

patents stripe