CID 161564

27326-17-6

Structural Information

Molecular Formula
C23H27N2O
SMILES
CC1(C2=CC=CC=C2N(C1=CC=[N+]3CCCC4=C3C=CC(=C4)OC)C)C
InChI
InChI=1S/C23H27N2O/c1-23(2)19-9-5-6-10-21(19)24(3)22(23)13-15-25-14-7-8-17-16-18(26-4)11-12-20(17)25/h5-6,9-13,15-16H,7-8,14H2,1-4H3/q+1
InChIKey
FVMIOCLPPPHKFX-UHFFFAOYSA-N
Compound name
6-methoxy-1-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.21234 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21962 191.3
[M+Na]+ 370.20156 199.4
[M-H]- 346.20506 196.9
[M+NH4]+ 365.24616 207.6
[M+K]+ 386.17550 186.4
[M+H-H2O]+ 330.20960 184.0
[M+HCOO]- 392.21054 205.9
[M+CH3COO]- 406.22619 208.1
[M+Na-2H]- 368.18701 193.9
[M]+ 347.21179 188.9
[M]- 347.21289 188.9
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.