CID 54351

((diethylcarbamoyl)methyl)diethyl((mesitylcarbamoyl)methyl)ammonium chloride

Structural Information

Molecular Formula
C21H36N3O2
SMILES
CCN(CC)C(=O)C[N+](CC)(CC)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C21H35N3O2/c1-8-23(9-2)20(26)15-24(10-3,11-4)14-19(25)22-21-17(6)12-16(5)13-18(21)7/h12-13H,8-11,14-15H2,1-7H3/p+1
InChIKey
ZHBPJYJCTLNZPY-UHFFFAOYSA-O
Compound name
[2-(diethylamino)-2-oxoethyl]-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.28076 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28804 191.0
[M+Na]+ 385.26998 194.4
[M-H]- 361.27348 196.8
[M+NH4]+ 380.31458 204.7
[M+K]+ 401.24392 187.6
[M+H-H2O]+ 345.27802 185.9
[M+HCOO]- 407.27896 213.3
[M+CH3COO]- 421.29461 227.4
[M+Na-2H]- 383.25543 192.6
[M]+ 362.28021 194.9
[M]- 362.28131 194.9
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.