CID 5707257

2-acetylpyridine phenylhydrazone

Structural Information

Molecular Formula
C13H13N3
SMILES
C/C(=N/NC1=CC=CC=C1)/C2=CC=CC=N2
InChI
InChI=1S/C13H13N3/c1-11(13-9-5-6-10-14-13)15-16-12-7-3-2-4-8-12/h2-10,16H,1H3/b15-11-
InChIKey
IAHWYHYXNQDZNV-PTNGSMBKSA-N
Compound name
N-[(Z)-1-pyridin-2-ylethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 146.1
[M+Na]+ 234.100168 152.0
[M-H]- 210.103674 152.5
[M+NH4]+ 229.144773 163.0
[M+K]+ 250.074108 148.7
[M+H-H2O]+ 194.108210 137.2
[M+HCOO]- 256.109151 172.3
[M+CH3COO]- 270.124801 193.3
[M+Na-2H]- 232.085616 155.1
[M]+ 211.11040142 144.4
[M]- 211.11149858 144.4
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