CID 5898493

(1e,6e)-1,6-di(octylidene)-3,8-bis(4-pyridyl)-[?]spiro[4.4]nona-3,8-diene

Structural Information

Molecular Formula
C14H21N3O
SMILES
CCCCCCC/C=N\NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C14H21N3O/c1-2-3-4-5-6-7-10-16-17-14(18)13-8-11-15-12-9-13/h8-12H,2-7H2,1H3,(H,17,18)/b16-10-
InChIKey
LPLRUYZWTRLWLA-YBEGLDIGSA-N
Compound name
N-[(Z)-octylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 160.1
[M+Na]+ 270.15768 164.4
[M-H]- 246.16118 162.6
[M+NH4]+ 265.20228 175.9
[M+K]+ 286.13162 161.7
[M+H-H2O]+ 230.16572 151.4
[M+HCOO]- 292.16666 184.9
[M+CH3COO]- 306.18231 201.2
[M+Na-2H]- 268.14313 165.6
[M]+ 247.16791 161.9
[M]- 247.16901 161.9
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.