CID 90215

23617-24-5

Structural Information

Molecular Formula
C30H42N2O2
SMILES
CC1CC=CC[N+]1(C)OCCC2=CC=C(C=C2)C3=CC=C(C=C3)CCO[N+]4(CC=CCC4C)C
InChI
InChI=1S/C30H42N2O2/c1-25-9-5-7-21-31(25,3)33-23-19-27-11-15-29(16-12-27)30-17-13-28(14-18-30)20-24-34-32(4)22-8-6-10-26(32)2/h5-8,11-18,25-26H,9-10,19-24H2,1-4H3/q+2
InChIKey
YYOQOXUFHFSURT-UHFFFAOYSA-N
Compound name
1-[2-[4-[4-[2-[(1,2-dimethyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)oxy]ethyl]phenyl]phenyl]ethoxy]-1,2-dimethyl-3,6-dihydro-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.32462 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.33190 224.9
[M+Na]+ 485.31384 227.0
[M-H]- 461.31734 232.9
[M+NH4]+ 480.35844 232.9
[M+K]+ 501.28778 209.6
[M+H-H2O]+ 445.32188 215.7
[M+HCOO]- 507.32282 236.4
[M+CH3COO]- 521.33847 222.8
[M+Na-2H]- 483.29929 227.8
[M]+ 462.32407 220.4
[M]- 462.32517 220.4
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.