CID 24844774

102206-85-9

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CC[N+](C)(CC)CCOCCOC(=O)C(C1=CC=CC=C1)[N+]2(CCC=CC2)C
InChI
InChI=1S/C23H38N2O3/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25/h7-11,13-14,22H,5-6,12,15-20H2,1-4H3/q+2
InChIKey
CISNZXIMCYPCQA-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylacetyl]oxyethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 195.5
[M+Na]+ 413.27746 208.8
[M+NH4]+ 408.32206 205.2
[M+K]+ 429.25140 201.1
[M-H]- 389.28096 201.8
[M+Na-2H]- 411.26291 204.7
[M]+ 390.28769 200.0
[M]- 390.28879 200.0
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.