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]+ 228.11315 149.5
[M+Na]+ 250.09509 157.5
[M-H]- 226.09859 154.2
[M+NH4]+ 245.13969 167.6
[M+K]+ 266.06903 154.3
[M+H-H2O]+ 210.10313 141.5
[M+HCOO]- 272.10407 174.5
[M+CH3COO]- 286.11972 198.6
[M+Na-2H]- 248.08054 157.6
[M]+ 227.10532 150.6
[M]- 227.10642 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.