CID 5072621

Schembl4934605

Structural Information

Molecular Formula
C23H42NO
SMILES
CCCCCCCCCCCCOCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C23H42NO/c1-4-5-6-7-8-9-10-11-12-16-20-25-21-19-24(2,3)22-23-17-14-13-15-18-23/h13-15,17-18H,4-12,16,19-22H2,1-3H3/q+1
InChIKey
SWTCNSQVRSSFNN-UHFFFAOYSA-N
Compound name
benzyl-(2-dodecoxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

348.32663 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.33391 195.5
[M+Na]+ 371.31585 196.7
[M-H]- 347.31935 198.1
[M+NH4]+ 366.36045 209.1
[M+K]+ 387.28979 187.3
[M+H-H2O]+ 331.32389 189.7
[M+HCOO]- 393.32483 215.9
[M+CH3COO]- 407.34048 217.0
[M+Na-2H]- 369.30130 199.7
[M]+ 348.32608 200.9
[M]- 348.32718 200.9
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.