CID 175189

72828-74-1

Structural Information

Molecular Formula
C20H20N3
SMILES
CC1CC2=CC=CC=C2N1N=CC3=CC=[N+](C4=CC=CC=C34)C
InChI
InChI=1S/C20H20N3/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20/h3-12,14-15H,13H2,1-2H3/q+1
InChIKey
ODXWFQKMQCQBLG-UHFFFAOYSA-N
Compound name
N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.1657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17298 175.4
[M+Na]+ 325.15492 184.2
[M-H]- 301.15842 182.9
[M+NH4]+ 320.19952 191.8
[M+K]+ 341.12886 172.1
[M+H-H2O]+ 285.16296 167.9
[M+HCOO]- 347.16390 196.1
[M+CH3COO]- 361.17955 204.7
[M+Na-2H]- 323.14037 182.4
[M]+ 302.16515 174.9
[M]- 302.16625 174.9
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

patents stripe