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]+ 351.20671 188.8
[M+Na]+ 373.18865 190.6
[M-H]- 349.19215 194.3
[M+NH4]+ 368.23325 200.4
[M+K]+ 389.16259 187.0
[M+H-H2O]+ 333.19669 179.9
[M+HCOO]- 395.19763 208.5
[M+CH3COO]- 409.21328 221.2
[M+Na-2H]- 371.17410 186.6
[M]+ 350.19888 187.0
[M]- 350.19998 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.