CID 655619

24460-11-5

Structural Information

Molecular Formula
C16H15NO4
SMILES
CN(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C16H15NO4/c1-17(2)10-7-8-13(14(18)9-10)15(19)11-5-3-4-6-12(11)16(20)21/h3-9,18H,1-2H3,(H,20,21)
InChIKey
GLELQLHCSRTFFD-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

138
Patents

285.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.1
[M+Na]+ 308.08932 169.6
[M-H]- 284.09282 169.0
[M+NH4]+ 303.13392 177.6
[M+K]+ 324.06326 167.4
[M+H-H2O]+ 268.09736 155.6
[M+HCOO]- 330.09830 184.5
[M+CH3COO]- 344.11395 203.5
[M+Na-2H]- 306.07477 164.4
[M]+ 285.09955 164.0
[M]- 285.10065 164.0
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