CID 9568212

Nsc63136

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClN3O/c1-10(12-3-2-4-13(15)9-12)17-18-14(19)11-5-7-16-8-6-11/h2-9H,1H3,(H,18,19)/b17-10+
InChIKey
KQQSBVWBUPQJNF-LICLKQGHSA-N
Compound name
N-[(E)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 160.8
[M+Na]+ 296.05612 167.9
[M-H]- 272.05962 167.2
[M+NH4]+ 291.10072 176.2
[M+K]+ 312.03006 163.1
[M+H-H2O]+ 256.06416 152.4
[M+HCOO]- 318.06510 181.4
[M+CH3COO]- 332.08075 202.6
[M+Na-2H]- 294.04157 166.6
[M]+ 273.06635 162.1
[M]- 273.06745 162.1
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

No patent data available for this compound.