CID 176162

Dimetipirium bromide

Structural Information

Molecular Formula
C23H30NO3
SMILES
CC1CCC([N+]1(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C23H30NO3/c1-18-14-15-19(2)24(18,3)16-17-27-22(25)23(26,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,26H,14-17H2,1-3H3/q+1
InChIKey
XPDQVVMCVFQWCC-UHFFFAOYSA-N
Compound name
2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

368.22256 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.229836 193.0
[M+Na]+ 391.211778 196.9
[M-H]- 367.215284 199.6
[M+NH4]+ 386.256383 206.4
[M+K]+ 407.185718 186.7
[M+H-H2O]+ 351.219820 187.2
[M+HCOO]- 413.220761 208.4
[M+CH3COO]- 427.236411 206.0
[M+Na-2H]- 389.197226 195.7
[M]+ 368.22201142 190.8
[M]- 368.22310858 190.8
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

patents stripe