CID 9572009

Nsc686356

Structural Information

Molecular Formula
C13H13N3O
SMILES
CC1=CC(=NC2=CC=CC=C12)N/N=C(\C)/C=O
InChI
InChI=1S/C13H13N3O/c1-9-7-13(16-15-10(2)8-17)14-12-6-4-3-5-11(9)12/h3-8H,1-2H3,(H,14,16)/b15-10+
InChIKey
OWARTMUKWKUDNB-XNTDXEJSSA-N
Compound name
(2E)-2-[(4-methylquinolin-2-yl)hydrazinylidene]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 149.5
[M+Na]+ 250.095088 157.5
[M-H]- 226.098594 154.2
[M+NH4]+ 245.139693 167.6
[M+K]+ 266.069028 154.3
[M+H-H2O]+ 210.103130 141.5
[M+HCOO]- 272.104071 174.5
[M+CH3COO]- 286.119721 198.6
[M+Na-2H]- 248.080536 157.6
[M]+ 227.10532142 150.6
[M]- 227.10641858 150.6
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.