CID 6447343

Quinolinium, 1,2,3,4-tetrahydro-1-(3-(1,2,3,4-tetrahydroquinol-1-yl)allylidene)-, chloride

Structural Information

Molecular Formula
C21H23N2
SMILES
C1CC2=CC=CC=C2N(C1)/C=C/C=[N+]3CCCC4=CC=CC=C43
InChI
InChI=1S/C21H23N2/c1-3-12-20-18(8-1)10-5-14-22(20)16-7-17-23-15-6-11-19-9-2-4-13-21(19)23/h1-4,7-9,12-13,16-17H,5-6,10-11,14-15H2/q+1
InChIKey
IKPSSGNVHCBMQY-UHFFFAOYSA-N
Compound name
1-[(E)-3-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)prop-1-enyl]-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18613 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19341 177.4
[M+Na]+ 326.17535 181.6
[M-H]- 302.17885 181.1
[M+NH4]+ 321.21995 190.4
[M+K]+ 342.14929 168.2
[M+H-H2O]+ 286.18339 168.7
[M+HCOO]- 348.18433 190.2
[M+CH3COO]- 362.19998 198.0
[M+Na-2H]- 324.16080 183.9
[M]+ 303.18558 169.1
[M]- 303.18668 169.1
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.