CID 55211

84213-95-6

Structural Information

Molecular Formula
C22H30ClN2O
SMILES
CC[N+](CC)(CC1=CC=CC=C1Cl)CC(=O)NC2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C22H29ClN2O/c1-6-25(7-2,14-19-10-8-9-11-20(19)23)15-21(26)24-22-17(4)12-16(3)13-18(22)5/h8-13H,6-7,14-15H2,1-5H3/p+1
InChIKey
GDUBXMOOQQAGDS-UHFFFAOYSA-O
Compound name
(2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.20468 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21196 193.2
[M+Na]+ 396.19390 199.5
[M-H]- 372.19740 201.0
[M+NH4]+ 391.23850 206.9
[M+K]+ 412.16784 188.2
[M+H-H2O]+ 356.20194 188.3
[M+HCOO]- 418.20288 211.0
[M+CH3COO]- 432.21853 221.3
[M+Na-2H]- 394.17935 196.6
[M]+ 373.20413 197.2
[M]- 373.20523 197.2
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.