CID 24844758

102584-24-7

Structural Information

Molecular Formula
C24H30N2O2
SMILES
C1=CC(=CC=C1C[N+]2=CC=C(C=C2)CCCO)C[N+]3=CC=C(C=C3)CCCO
InChI
InChI=1S/C24H30N2O2/c27-17-1-3-21-9-13-25(14-10-21)19-23-5-7-24(8-6-23)20-26-15-11-22(12-16-26)4-2-18-28/h5-16,27-28H,1-4,17-20H2/q+2
InChIKey
YNWNPWOKWOSZNK-UHFFFAOYSA-N
Compound name
3-[1-[[4-[[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 203.3
[M+Na]+ 401.21996 207.4
[M-H]- 377.22346 207.1
[M+NH4]+ 396.26456 209.8
[M+K]+ 417.19390 188.8
[M+H-H2O]+ 361.22800 196.9
[M+HCOO]- 423.22894 218.8
[M+CH3COO]- 437.24459 202.9
[M+Na-2H]- 399.20541 209.4
[M]+ 378.23019 201.6
[M]- 378.23129 201.6
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.