CID 5354071

(2e)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C15H13NO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H13NO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H,16H2/b11-6+
InChIKey
VEKSFLTVXIEEAX-IZZDOVSWSA-N
Compound name
(E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

223.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 150.4
[M+Na]+ 246.08894 157.1
[M-H]- 222.09244 156.6
[M+NH4]+ 241.13354 167.8
[M+K]+ 262.06288 152.3
[M+H-H2O]+ 206.09698 143.0
[M+HCOO]- 268.09792 174.5
[M+CH3COO]- 282.11357 190.9
[M+Na-2H]- 244.07439 155.4
[M]+ 223.09917 147.9
[M]- 223.10027 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe