CID 499778

N-(2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1h-anthracen-9-ylideneamino)pyridine-4-carboxamide

Structural Information

Molecular Formula
C20H27N3O
SMILES
C1CCC2C(C1)CC3CCCCC3C2=NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C20H27N3O/c24-20(14-9-11-21-12-10-14)23-22-19-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)19/h9-12,15-18H,1-8,13H2,(H,23,24)
InChIKey
INFYCCCIKFDPKL-UHFFFAOYSA-N
Compound name
N-(2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 174.8
[M+Na]+ 348.20464 175.0
[M-H]- 324.20814 179.9
[M+NH4]+ 343.24924 188.2
[M+K]+ 364.17858 170.2
[M+H-H2O]+ 308.21268 164.2
[M+HCOO]- 370.21362 188.1
[M+CH3COO]- 384.22927 182.1
[M+Na-2H]- 346.19009 177.8
[M]+ 325.21487 164.1
[M]- 325.21597 164.1
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.