CID 113762

63716-55-2

Structural Information

Molecular Formula
C23H25N2
SMILES
C1CC2=CC=CC=C2N(C1)C=CC=CC=[N+]3CCCC4=CC=CC=C43
InChI
InChI=1S/C23H25N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h1-7,10-11,14-17H,8-9,12-13,18-19H2/q+1
InChIKey
ZXCYBWJROZUAMM-UHFFFAOYSA-N
Compound name
1-[5-(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

329.20178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20906 185.8
[M+Na]+ 352.19100 189.4
[M-H]- 328.19450 189.1
[M+NH4]+ 347.23560 197.6
[M+K]+ 368.16494 175.0
[M+H-H2O]+ 312.19904 176.7
[M+HCOO]- 374.19998 198.0
[M+CH3COO]- 388.21563 202.4
[M+Na-2H]- 350.17645 191.1
[M]+ 329.20123 177.3
[M]- 329.20233 177.3
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.