CID 3058444

75273-96-0

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC(=O)C1=CC(=CC=C1)N=CC2=CC=NC=C2
InChI
InChI=1S/C14H12N2O/c1-11(17)13-3-2-4-14(9-13)16-10-12-5-7-15-8-6-12/h2-10H,1H3
InChIKey
UZEOLCGRQMNBCA-UHFFFAOYSA-N
Compound name
1-[3-(pyridin-4-ylmethylideneamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 149.3
[M+Na]+ 247.084178 156.8
[M-H]- 223.087684 156.0
[M+NH4]+ 242.128783 166.2
[M+K]+ 263.058118 153.3
[M+H-H2O]+ 207.092220 140.6
[M+HCOO]- 269.093161 174.6
[M+CH3COO]- 283.108811 193.7
[M+Na-2H]- 245.069626 156.5
[M]+ 224.09441142 149.7
[M]- 224.09550858 149.7
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.