CID 207671

Gp 322 bromide

Structural Information

Molecular Formula
C22H30NO3
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C22H30NO3/c1-5-23(3,6-2)15-16-26-22(24)21(18-11-8-7-9-12-18)19-13-10-14-20(17-19)25-4/h7-14,17,21H,5-6,15-16H2,1-4H3/q+1
InChIKey
SRBATVHSCLRCLV-UHFFFAOYSA-N
Compound name
diethyl-[2-[2-(3-methoxyphenyl)-2-phenylacetyl]oxyethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22256 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.229836 190.1
[M+Na]+ 379.211778 193.3
[M-H]- 355.215284 197.2
[M+NH4]+ 374.256383 202.7
[M+K]+ 395.185718 185.2
[M+H-H2O]+ 339.219820 183.8
[M+HCOO]- 401.220761 210.9
[M+CH3COO]- 415.236411 214.1
[M+Na-2H]- 377.197226 194.6
[M]+ 356.22201142 193.4
[M]- 356.22310858 193.4
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.