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]+ 225.10224 149.3
[M+Na]+ 247.08418 156.8
[M-H]- 223.08768 156.0
[M+NH4]+ 242.12878 166.2
[M+K]+ 263.05812 153.3
[M+H-H2O]+ 207.09222 140.6
[M+HCOO]- 269.09316 174.6
[M+CH3COO]- 283.10881 193.7
[M+Na-2H]- 245.06963 156.5
[M]+ 224.09441 149.7
[M]- 224.09551 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.