CID 6434888

64908-88-9

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H12N2O/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10H,15H2/b8-3+
InChIKey
XNRPHFPVYAZSBF-FPYGCLRLSA-N
Compound name
(E)-1-(4-aminophenyl)-3-pyridin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

224.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 150.3
[M+Na]+ 247.08418 157.4
[M-H]- 223.08768 155.2
[M+NH4]+ 242.12878 166.3
[M+K]+ 263.05812 152.7
[M+H-H2O]+ 207.09222 142.0
[M+HCOO]- 269.09316 173.5
[M+CH3COO]- 283.10881 190.5
[M+Na-2H]- 245.06963 156.0
[M]+ 224.09441 147.9
[M]- 224.09551 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