CID 112614

63149-21-3

Structural Information

Molecular Formula
C24H25N2O
SMILES
CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CCCO)C=CC4=CC=CC=C41
InChI
InChI=1S/C24H25N2O/c1-2-25-21(14-12-19-8-3-5-10-23(19)25)18-22-15-13-20-9-4-6-11-24(20)26(22)16-7-17-27/h3-6,8-15,18,27H,2,7,16-17H2,1H3/q+1
InChIKey
IZUQONYNFNFILE-UHFFFAOYSA-N
Compound name
3-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1967 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20398 193.9
[M+Na]+ 380.18592 200.6
[M-H]- 356.18942 197.6
[M+NH4]+ 375.23052 204.7
[M+K]+ 396.15986 186.5
[M+H-H2O]+ 340.19396 185.2
[M+HCOO]- 402.19490 208.2
[M+CH3COO]- 416.21055 209.1
[M+Na-2H]- 378.17137 200.1
[M]+ 357.19615 192.0
[M]- 357.19725 192.0
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.