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]+ 402.217606 200.6
[M+Na]+ 424.199548 203.3
[M-H]- 400.203054 210.9
[M+NH4]+ 419.244153 210.3
[M+K]+ 440.173488 199.9
[M+H-H2O]+ 384.207590 189.7
[M+HCOO]- 446.208531 223.6
[M+CH3COO]- 460.224181 236.5
[M+Na-2H]- 422.184996 200.2
[M]+ 401.20978142 200.5
[M]- 401.21087858 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.