CID 6434417

Brn 2921244

Structural Information

Molecular Formula
C25H29N3O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC)/C(=O)NC3CCCCC3
InChI
InChI=1S/C25H29N3O4/c1-17(29)26-21-12-10-19(11-13-21)24(30)28-23(16-18-8-14-22(32-2)15-9-18)25(31)27-20-6-4-3-5-7-20/h8-16,20H,3-7H2,1-2H3,(H,26,29)(H,27,31)(H,28,30)/b23-16+
InChIKey
KAWFJGDHJSPUGC-XQNSMLJCSA-N
Compound name
4-acetamido-N-[(E)-3-(cyclohexylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.21582 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.22310 204.9
[M+Na]+ 458.20504 203.6
[M-H]- 434.20854 212.3
[M+NH4]+ 453.24964 211.8
[M+K]+ 474.17898 200.4
[M+H-H2O]+ 418.21308 194.2
[M+HCOO]- 480.21402 223.0
[M+CH3COO]- 494.22967 236.1
[M+Na-2H]- 456.19049 202.6
[M]+ 435.21527 199.6
[M]- 435.21637 199.6
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.