CID 988128

N-((3,4-dimethoxyphenyl)((2-methylbenzoyl)amino)methyl)-2-methylbenzamide

Structural Information

Molecular Formula
C25H26N2O4
SMILES
CC1=CC=CC=C1C(=O)NC(C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C25H26N2O4/c1-16-9-5-7-11-19(16)24(28)26-23(18-13-14-21(30-3)22(15-18)31-4)27-25(29)20-12-8-6-10-17(20)2/h5-15,23H,1-4H3,(H,26,28)(H,27,29)
InChIKey
DNTDZAURLPOWOA-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18927 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19655 202.9
[M+Na]+ 441.17849 206.9
[M-H]- 417.18199 212.3
[M+NH4]+ 436.22309 211.8
[M+K]+ 457.15243 203.6
[M+H-H2O]+ 401.18653 192.2
[M+HCOO]- 463.18747 224.8
[M+CH3COO]- 477.20312 233.8
[M+Na-2H]- 439.16394 202.2
[M]+ 418.18872 205.4
[M]- 418.18982 205.4
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.