CID 9554862

4-methylbenzaldehyde isonicotinoyl hydrazone

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H13N3O/c1-11-2-4-12(5-3-11)10-16-17-14(18)13-6-8-15-9-7-13/h2-10H,1H3,(H,17,18)/b16-10+
InChIKey
IOCMMFJXHNVXLH-MHWRWJLKSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

239.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 153.5
[M+Na]+ 262.095088 160.2
[M-H]- 238.098594 160.2
[M+NH4]+ 257.139693 169.5
[M+K]+ 278.069028 156.6
[M+H-H2O]+ 222.103130 144.4
[M+HCOO]- 284.104071 179.8
[M+CH3COO]- 298.119721 198.0
[M+Na-2H]- 260.080536 161.1
[M]+ 239.10532142 153.1
[M]- 239.10641858 153.1
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