CID 505259

5-[(3,4-dichlorophenyl)methyl-[3-(3-methoxyphenyl)-3-oxo-propanoyl]amino]-n,n,2-trimethyl-benzamide

Structural Information

Molecular Formula
C27H26Cl2N2O4
SMILES
CC1=C(C=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=CC(=CC=C3)OC)C(=O)N(C)C
InChI
InChI=1S/C27H26Cl2N2O4/c1-17-8-10-20(14-22(17)27(34)30(2)3)31(16-18-9-11-23(28)24(29)12-18)26(33)15-25(32)19-6-5-7-21(13-19)35-4/h5-14H,15-16H2,1-4H3
InChIKey
XXENRYYWAKAVBA-UHFFFAOYSA-N
Compound name
5-[(3,4-dichlorophenyl)methyl-[3-(3-methoxyphenyl)-3-oxopropanoyl]amino]-N,N,2-trimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.12695 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.13423 220.1
[M+Na]+ 535.11617 226.0
[M-H]- 511.11967 231.6
[M+NH4]+ 530.16077 228.3
[M+K]+ 551.09011 222.0
[M+H-H2O]+ 495.12421 210.9
[M+HCOO]- 557.12515 233.3
[M+CH3COO]- 571.14080 252.8
[M+Na-2H]- 533.10162 215.6
[M]+ 512.12640 230.2
[M]- 512.12750 230.2
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.