CID 5469327

Nsc686358

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC1=CC(=NC2=C1C=CC(=C2)OC)N/N=C(/C)\C=O
InChI
InChI=1S/C14H15N3O2/c1-9-6-14(17-16-10(2)8-18)15-13-7-11(19-3)4-5-12(9)13/h4-8H,1-3H3,(H,15,17)/b16-10-
InChIKey
ZSFUCHGLLRJEIP-YBEGLDIGSA-N
Compound name
(2Z)-2-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 157.3
[M+Na]+ 280.10564 165.7
[M-H]- 256.10914 162.2
[M+NH4]+ 275.15024 174.4
[M+K]+ 296.07958 162.9
[M+H-H2O]+ 240.11368 149.2
[M+HCOO]- 302.11462 182.1
[M+CH3COO]- 316.13027 205.0
[M+Na-2H]- 278.09109 164.2
[M]+ 257.11587 160.6
[M]- 257.11697 160.6
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.