CID 135429830

M3rbg160p3

Structural Information

Molecular Formula
C22H19N2O
SMILES
CC1=CC(=C(C2=C1C=CC=N2)O)/C=C/C3=CC=[N+](C4=CC=CC=C34)C
InChI
InChI=1S/C22H18N2O/c1-15-14-17(22(25)21-18(15)7-5-12-23-21)10-9-16-11-13-24(2)20-8-4-3-6-19(16)20/h3-14H,1-2H3/p+1
InChIKey
LUNLWEDILJFNBX-UHFFFAOYSA-O
Compound name
5-methyl-7-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14975 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15703 184.4
[M+Na]+ 350.13897 195.0
[M-H]- 326.14247 189.8
[M+NH4]+ 345.18357 197.0
[M+K]+ 366.11291 181.1
[M+H-H2O]+ 310.14701 176.5
[M+HCOO]- 372.14795 202.2
[M+CH3COO]- 386.16360 203.9
[M+Na-2H]- 348.12442 193.0
[M]+ 327.14920 185.3
[M]- 327.15030 185.3
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.