CID 20836144

38510-43-9

Structural Information

Molecular Formula
C27H44N
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C27H44N/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-28(2,3)24-26-21-18-20-25-19-15-16-22-27(25)26/h15-16,18-22H,4-14,17,23-24H2,1-3H3/q+1
InChIKey
XSLVIHFJLQAUQN-UHFFFAOYSA-N
Compound name
dimethyl-(naphthalen-1-ylmethyl)-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

382.34738 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.35466 205.6
[M+Na]+ 405.33660 207.2
[M-H]- 381.34010 208.8
[M+NH4]+ 400.38120 218.8
[M+K]+ 421.31054 195.6
[M+H-H2O]+ 365.34464 199.2
[M+HCOO]- 427.34558 224.1
[M+CH3COO]- 441.36123 225.4
[M+Na-2H]- 403.32205 209.9
[M]+ 382.34683 209.8
[M]- 382.34793 209.8
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