CID 113760

63716-54-1

Structural Information

Molecular Formula
C25H29N2O2
SMILES
COC1=CC2=C(C=C1)N(CCC2)C=CC=CC=[N+]3CCCC4=C3C=CC(=C4)OC
InChI
InChI=1S/C25H29N2O2/c1-28-22-10-12-24-20(18-22)8-6-16-26(24)14-4-3-5-15-27-17-7-9-21-19-23(29-2)11-13-25(21)27/h3-5,10-15,18-19H,6-9,16-17H2,1-2H3/q+1
InChIKey
OJBFGAOISHYDMG-UHFFFAOYSA-N
Compound name
6-methoxy-1-[5-(6-methoxy-3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2229 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.23018 202.5
[M+Na]+ 412.21212 206.6
[M-H]- 388.21562 206.2
[M+NH4]+ 407.25672 212.3
[M+K]+ 428.18606 193.2
[M+H-H2O]+ 372.22016 193.1
[M+HCOO]- 434.22110 214.2
[M+CH3COO]- 448.23675 214.6
[M+Na-2H]- 410.19757 205.7
[M]+ 389.22235 198.2
[M]- 389.22345 198.2
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.