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]+ 343.120776 181.8
[M+Na]+ 365.102718 186.1
[M-H]- 341.106224 187.8
[M+NH4]+ 360.147323 194.8
[M+K]+ 381.076658 180.7
[M+H-H2O]+ 325.110760 174.2
[M+HCOO]- 387.111701 199.2
[M+CH3COO]- 401.127351 214.9
[M+Na-2H]- 363.088166 182.0
[M]+ 342.11295142 182.2
[M]- 342.11404858 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.