CID 77500

Primenit ld

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

167
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 192.1
[M+Na]+ 361.31892 194.5
[M-H]- 337.32242 192.6
[M+NH4]+ 356.36352 199.8
[M+K]+ 377.29286 189.1
[M+H-H2O]+ 321.32696 182.8
[M+HCOO]- 383.32790 210.9
[M+CH3COO]- 397.34355 220.2
[M+Na-2H]- 359.30437 191.1
[M]+ 338.32915 199.6
[M]- 338.33025 199.6
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