CID 422016

Benzyldimethyl(tetradecylcarbamoylmethyl)ammonium chloride

Structural Information

Molecular Formula
C25H45N2O
SMILES
CCCCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C25H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-26-25(28)23-27(2,3)22-24-19-16-15-17-20-24/h15-17,19-20H,4-14,18,21-23H2,1-3H3/p+1
InChIKey
YULONOFZPCZSJX-UHFFFAOYSA-O
Compound name
benzyl-dimethyl-[2-oxo-2-(tetradecylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.35318 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.36046 206.1
[M+Na]+ 412.34240 205.6
[M-H]- 388.34590 208.3
[M+NH4]+ 407.38700 217.5
[M+K]+ 428.31634 195.6
[M+H-H2O]+ 372.35044 199.7
[M+HCOO]- 434.35138 226.0
[M+CH3COO]- 448.36703 226.6
[M+Na-2H]- 410.32785 208.6
[M]+ 389.35263 209.9
[M]- 389.35373 209.9
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.