CID 6477404

N-(1-((butylamino)carbonyl)-2-(3,4-dimethoxyphenyl)vinyl)benzamide

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c1-4-5-13-23-22(26)18(24-21(25)17-9-7-6-8-10-17)14-16-11-12-19(27-2)20(15-16)28-3/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)/b18-14-
InChIKey
LKLJHARGJKAZJT-JXAWBTAJSA-N
Compound name
N-[(Z)-3-(butylamino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 194.3
[M+Na]+ 405.17849 197.2
[M-H]- 381.18199 200.0
[M+NH4]+ 400.22309 204.8
[M+K]+ 421.15243 193.9
[M+H-H2O]+ 365.18653 184.7
[M+HCOO]- 427.18747 216.4
[M+CH3COO]- 441.20312 224.9
[M+Na-2H]- 403.16394 194.0
[M]+ 382.18872 196.9
[M]- 382.18982 196.9
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.