CID 3064868

105916-35-6

Structural Information

Molecular Formula
C21H30ClN2O
SMILES
CC1=CC(=C(C(=C1)C)NCC(C[N+](C)(C)CC2=CC=CC=C2Cl)O)C
InChI
InChI=1S/C21H30ClN2O/c1-15-10-16(2)21(17(3)11-15)23-12-19(25)14-24(4,5)13-18-8-6-7-9-20(18)22/h6-11,19,23,25H,12-14H2,1-5H3/q+1
InChIKey
JIMCDFDQNFVIQB-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl-[2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.20468 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21196 189.1
[M+Na]+ 384.19390 195.0
[M-H]- 360.19740 195.6
[M+NH4]+ 379.23850 202.6
[M+K]+ 400.16784 183.7
[M+H-H2O]+ 344.20194 184.7
[M+HCOO]- 406.20288 205.6
[M+CH3COO]- 420.21853 217.4
[M+Na-2H]- 382.17935 192.6
[M]+ 361.20413 191.7
[M]- 361.20523 191.7
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.