CID 45053512

N-(1-((isopropylamino)carbonyl)-2-(4-isopropylphenyl)vinyl)benzamide

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC(C)C1=CC=C(C=C1)/C=C(/C(=O)NC(C)C)\NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H26N2O2/c1-15(2)18-12-10-17(11-13-18)14-20(22(26)23-16(3)4)24-21(25)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,23,26)(H,24,25)/b20-14-
InChIKey
SRYLMKSVTIKPCS-ZHZULCJRSA-N
Compound name
N-[(Z)-3-oxo-3-(propan-2-ylamino)-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 188.8
[M+Na]+ 373.188648 190.6
[M-H]- 349.192154 194.3
[M+NH4]+ 368.233253 200.4
[M+K]+ 389.162588 187.0
[M+H-H2O]+ 333.196690 179.9
[M+HCOO]- 395.197631 208.5
[M+CH3COO]- 409.213281 221.2
[M+Na-2H]- 371.174096 186.6
[M]+ 350.19888142 187.0
[M]- 350.19997858 187.0
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.