CID 172235

Benzenemethanaminium, ar,ar-dichloro-n,n-dimethyl-n-tetradecyl-, chloride

Structural Information

Molecular Formula
C23H40Cl2N
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C23H40Cl2N/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-26(2,3)20-21-17-16-18-22(24)23(21)25/h16-18H,4-15,19-20H2,1-3H3/q+1
InChIKey
BFNIFWGNNCCILF-UHFFFAOYSA-N
Compound name
(2,3-dichlorophenyl)methyl-dimethyl-tetradecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

400.25378 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.26106 204.7
[M+Na]+ 423.24300 208.8
[M-H]- 399.24650 206.9
[M+NH4]+ 418.28760 218.1
[M+K]+ 439.21694 195.7
[M+H-H2O]+ 383.25104 200.8
[M+HCOO]- 445.25198 215.2
[M+CH3COO]- 459.26763 224.8
[M+Na-2H]- 421.22845 206.0
[M]+ 400.25323 212.3
[M]- 400.25433 212.3
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