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]+ 357.22984 190.1
[M+Na]+ 379.21178 193.3
[M-H]- 355.21528 197.2
[M+NH4]+ 374.25638 202.7
[M+K]+ 395.18572 185.2
[M+H-H2O]+ 339.21982 183.8
[M+HCOO]- 401.22076 210.9
[M+CH3COO]- 415.23641 214.1
[M+Na-2H]- 377.19723 194.6
[M]+ 356.22201 193.4
[M]- 356.22311 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.