CID 7536

Metalkonium chloride

Structural Information

Molecular Formula
C23H41N2O
SMILES
CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-16-19-24-23(26)21-25(2,3)20-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/p+1
InChIKey
DYKFIFLJEJVONL-UHFFFAOYSA-O
Compound name
benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

237
Patents

361.3219 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.32918 197.0
[M+Na]+ 384.31112 197.4
[M-H]- 360.31462 199.6
[M+NH4]+ 379.35572 209.6
[M+K]+ 400.28506 187.9
[M+H-H2O]+ 344.31916 191.0
[M+HCOO]- 406.32010 217.7
[M+CH3COO]- 420.33575 220.7
[M+Na-2H]- 382.29657 200.6
[M]+ 361.32135 200.1
[M]- 361.32245 200.1
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