CID 1182652

3-methylbutyl 4-{[(2e)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino}benzoate

Structural Information

Molecular Formula
C23H27NO5
SMILES
CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C23H27NO5/c1-16(2)13-14-29-23(26)17-5-8-19(9-6-17)24-22(25)12-7-18-15-20(27-3)10-11-21(18)28-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,25)/b12-7+
InChIKey
DEMYCDTWNMZHSN-KPKJPENVSA-N
Compound name
3-methylbutyl 4-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

397.18893 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 197.0
[M+Na]+ 420.17815 207.6
[M+NH4]+ 415.22275 201.5
[M+K]+ 436.15209 201.6
[M-H]- 396.18165 199.3
[M+Na-2H]- 418.16360 201.8
[M]+ 397.18838 198.8
[M]- 397.18948 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.