CID 88937

2-[4-(dimethylamino)benzoyl]benzoic acid

Structural Information

Molecular Formula
C16H15NO3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15NO3/c1-17(2)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKey
KAWOFQZCZFQCSH-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)benzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

132
Patents

269.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.112476 160.3
[M+Na]+ 292.094418 166.4
[M-H]- 268.097924 167.2
[M+NH4]+ 287.139023 175.9
[M+K]+ 308.068358 164.3
[M+H-H2O]+ 252.102460 152.5
[M+HCOO]- 314.103401 183.0
[M+CH3COO]- 328.119051 202.4
[M+Na-2H]- 290.079866 162.6
[M]+ 269.10465142 161.1
[M]- 269.10574858 161.1
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

patents stripe