CID 1728634

N-{[4-(dimethylamino)phenyl][(2-methylbenzoyl)amino]methyl}-2-methylbenzamide

Structural Information

Molecular Formula
C25H27N3O2
SMILES
CC1=CC=CC=C1C(=O)NC(C2=CC=C(C=C2)N(C)C)NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C25H27N3O2/c1-17-9-5-7-11-21(17)24(29)26-23(19-13-15-20(16-14-19)28(3)4)27-25(30)22-12-8-6-10-18(22)2/h5-16,23H,1-4H3,(H,26,29)(H,27,30)
InChIKey
DZUOJPZRGRPNBM-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 200.6
[M+Na]+ 424.19955 203.3
[M-H]- 400.20305 210.9
[M+NH4]+ 419.24415 210.3
[M+K]+ 440.17349 199.9
[M+H-H2O]+ 384.20759 189.7
[M+HCOO]- 446.20853 223.6
[M+CH3COO]- 460.22418 236.5
[M+Na-2H]- 422.18500 200.2
[M]+ 401.20978 200.5
[M]- 401.21088 200.5
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

No patent data available for this compound.