CID 14093940

Unii-1hq5fg9zn3

Structural Information

Molecular Formula
C23H47N2O
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChI
InChI=1S/C23H47N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(2,3)22-24-20-18-19-23(24)26/h4-22H2,1-3H3/q+1
InChIKey
AGTPOYSXKWBROH-UHFFFAOYSA-N
Compound name
hexadecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

367.36884 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.37612 201.7
[M+Na]+ 390.35806 202.0
[M-H]- 366.36156 202.5
[M+NH4]+ 385.40266 215.1
[M+K]+ 406.33200 192.6
[M+H-H2O]+ 350.36610 195.8
[M+HCOO]- 412.36704 218.9
[M+CH3COO]- 426.38269 220.4
[M+Na-2H]- 388.34351 201.8
[M]+ 367.36829 205.0
[M]- 367.36939 205.0
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