CID 11820713

Schembl2990877

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCCCCCCCCCCC/C=N/NC(=O)C1=CC=NC=C1
InChI
InChI=1S/C19H31N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-22-19(23)18-13-16-20-17-14-18/h13-17H,2-12H2,1H3,(H,22,23)/b21-15+
InChIKey
FZKLLDAEUBQJIN-RCCKNPSSSA-N
Compound name
N-[(E)-tridecylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

317.2467 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 182.3
[M+Na]+ 340.23592 184.5
[M-H]- 316.23942 183.9
[M+NH4]+ 335.28052 195.3
[M+K]+ 356.20986 180.5
[M+H-H2O]+ 300.24396 172.5
[M+HCOO]- 362.24490 205.4
[M+CH3COO]- 376.26055 216.3
[M+Na-2H]- 338.22137 185.2
[M]+ 317.24615 186.0
[M]- 317.24725 186.0
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

patents stripe