CID 45053511

N-(2-(4-isopropylphenyl)-1-(((3-pyridinylmethyl)amino)carbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C25H25N3O2
SMILES
CC(C)C1=CC=C(C=C1)/C=C(/C(=O)NCC2=CN=CC=C2)\NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H25N3O2/c1-18(2)21-12-10-19(11-13-21)15-23(28-24(29)22-8-4-3-5-9-22)25(30)27-17-20-7-6-14-26-16-20/h3-16,18H,17H2,1-2H3,(H,27,30)(H,28,29)/b23-15-
InChIKey
CAVWYZCAGHMCBG-HAHDFKILSA-N
Compound name
N-[(Z)-3-oxo-1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.19467 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 199.5
[M+Na]+ 422.18389 211.4
[M+NH4]+ 417.22849 205.1
[M+K]+ 438.15783 204.0
[M-H]- 398.18739 205.2
[M+Na-2H]- 420.16934 208.6
[M]+ 399.19412 202.6
[M]- 399.19522 202.6
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.