CID 27527

15885-62-8

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1CCCC(=NNC(=O)C2=CC=NC=C2)CC1
InChI
InChI=1S/C13H17N3O/c17-13(11-7-9-14-10-8-11)16-15-12-5-3-1-2-4-6-12/h7-10H,1-6H2,(H,16,17)
InChIKey
GPPOWELDCJJAIZ-UHFFFAOYSA-N
Compound name
N-(cycloheptylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 151.5
[M+Na]+ 254.126378 153.2
[M-H]- 230.129884 157.9
[M+NH4]+ 249.170983 166.2
[M+K]+ 270.100318 155.6
[M+H-H2O]+ 214.134420 142.8
[M+HCOO]- 276.135361 173.0
[M+CH3COO]- 290.151011 195.9
[M+Na-2H]- 252.111826 156.8
[M]+ 231.13661142 143.4
[M]- 231.13770858 143.4
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.