CID 5730

3-(dimethylamino)-n-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
InChIKey
PYEFPDQFAZNXLI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

483
Patents

389.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.7
[M+Na]+ 412.16317 198.9
[M-H]- 388.16667 204.5
[M+NH4]+ 407.20777 204.6
[M+K]+ 428.13711 195.4
[M+H-H2O]+ 372.17121 184.3
[M+HCOO]- 434.17215 218.1
[M+CH3COO]- 448.18780 231.1
[M+Na-2H]- 410.14862 195.5
[M]+ 389.17340 194.6
[M]- 389.17450 194.6
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