CID 65879

Pirtenidine

Structural Information

Molecular Formula
C21H38N2
SMILES
CCCCCCCCN=C1C=CN(C=C1)CCCCCCCC
InChI
InChI=1S/C21H38N2/c1-3-5-7-9-11-13-17-22-21-15-19-23(20-16-21)18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3
InChIKey
RGTPDNXJDCPXAB-UHFFFAOYSA-N
Compound name
N,1-dioctylpyridin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

83
Patents

318.3035 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 185.4
[M+Na]+ 341.29272 188.5
[M-H]- 317.29622 186.8
[M+NH4]+ 336.33732 199.2
[M+K]+ 357.26666 183.7
[M+H-H2O]+ 301.30076 176.0
[M+HCOO]- 363.30170 207.3
[M+CH3COO]- 377.31735 217.4
[M+Na-2H]- 339.27817 187.3
[M]+ 318.30295 191.0
[M]- 318.30405 191.0
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.