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]+ 463.331896 224.9
[M+Na]+ 485.313838 227.0
[M-H]- 461.317344 232.9
[M+NH4]+ 480.358443 232.9
[M+K]+ 501.287778 209.6
[M+H-H2O]+ 445.321880 215.7
[M+HCOO]- 507.322821 236.4
[M+CH3COO]- 521.338471 222.8
[M+Na-2H]- 483.299286 227.8
[M]+ 462.32407142 220.4
[M]- 462.32516858 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.