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 199.2
[M+Na]+ 422.18389 200.8
[M-H]- 398.18739 206.2
[M+NH4]+ 417.22849 206.6
[M+K]+ 438.15783 195.3
[M+H-H2O]+ 382.19193 187.8
[M+HCOO]- 444.19287 218.6
[M+CH3COO]- 458.20852 227.8
[M+Na-2H]- 420.16934 199.7
[M]+ 399.19412 196.8
[M]- 399.19522 196.8
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.