CID 77500

N-octadecylaziridine-1-carboxamide

Structural Information

Molecular Formula
C21H42N2O
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)N1CC1
InChI
InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(24)23-19-20-23/h2-20H2,1H3,(H,22,24)
InChIKey
MEMUMYCLWQPAEX-UHFFFAOYSA-N
Compound name
N-octadecylaziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

338.3297 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.33698 184.0
[M+Na]+ 361.31892 192.1
[M+NH4]+ 356.36352 189.8
[M+K]+ 377.29286 185.7
[M-H]- 337.32242 190.7
[M+Na-2H]- 359.30437 188.0
[M]+ 338.32915 187.8
[M]- 338.33025 187.8
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