CID 79878

5809-23-4

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
InChIKey
FQNKTJPBXAZUGC-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3205
Patents

313.1314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.4
[M+Na]+ 336.12062 178.0
[M-H]- 312.12412 177.9
[M+NH4]+ 331.16522 185.7
[M+K]+ 352.09456 175.4
[M+H-H2O]+ 296.12866 164.5
[M+HCOO]- 358.12960 193.1
[M+CH3COO]- 372.14525 209.5
[M+Na-2H]- 334.10607 172.6
[M]+ 313.13085 174.0
[M]- 313.13195 174.0
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