CID 9555918

Nsc655505

Structural Information

Molecular Formula
C14H13N3O
SMILES
CO/C(=N\N=C\C1=CC=CC=C1)/C2=CC=NC=C2
InChI
InChI=1S/C14H13N3O/c1-18-14(13-7-9-15-10-8-13)17-16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+,17-14-
InChIKey
WFZRQYYNAWGLDV-JTFXAZDYSA-N
Compound name
methyl (NE,4Z)-N-benzylidenepyridine-4-carbohydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.4
[M+Na]+ 262.09509 159.5
[M-H]- 238.09859 161.0
[M+NH4]+ 257.13969 169.8
[M+K]+ 278.06903 156.9
[M+H-H2O]+ 222.10313 143.7
[M+HCOO]- 284.10407 181.1
[M+CH3COO]- 298.11972 198.8
[M+Na-2H]- 260.08054 162.1
[M]+ 239.10532 154.4
[M]- 239.10642 154.4
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

No patent data available for this compound.