CID 5829341

Dtxsid00429616

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1C2CC(C1C=C2)/C=N\NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H15N3O/c18-14(11-3-5-15-6-4-11)17-16-9-13-8-10-1-2-12(13)7-10/h1-6,9-10,12-13H,7-8H2,(H,17,18)/b16-9-
InChIKey
VUCKSEXZWPSNKP-SXGWCWSVSA-N
Compound name
N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 153.2
[M+Na]+ 264.110718 159.2
[M-H]- 240.114224 159.3
[M+NH4]+ 259.155323 174.3
[M+K]+ 280.084658 156.1
[M+H-H2O]+ 224.118760 145.6
[M+HCOO]- 286.119701 177.9
[M+CH3COO]- 300.135351 165.6
[M+Na-2H]- 262.096166 157.8
[M]+ 241.12095142 152.5
[M]- 241.12204858 152.5
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.