CID 5755114

108941-01-1

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CC(C)NC(=O)/C(=C\C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19ClN2O2/c1-13(2)21-19(24)17(12-14-8-10-16(20)11-9-14)22-18(23)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,22,23)/b17-12+
InChIKey
CBPYXHFHCCFJMW-SFQUDFHCSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12078 181.8
[M+Na]+ 365.10272 186.1
[M-H]- 341.10622 187.8
[M+NH4]+ 360.14732 194.8
[M+K]+ 381.07666 180.7
[M+H-H2O]+ 325.11076 174.2
[M+HCOO]- 387.11170 199.2
[M+CH3COO]- 401.12735 214.9
[M+Na-2H]- 363.08817 182.0
[M]+ 342.11295 182.2
[M]- 342.11405 182.2
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.