CID 377694

Nsc659276

Structural Information

Molecular Formula
C25H19N
SMILES
CC1=CC(=NC2=C1C=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H19N/c1-17-15-21(16-20-10-6-9-18-7-2-4-11-23(18)20)26-25-22(17)14-13-19-8-3-5-12-24(19)25/h2-15H,16H2,1H3
InChIKey
HLMWDWGZMMKBGP-UHFFFAOYSA-N
Compound name
4-methyl-2-(naphthalen-1-ylmethyl)benzo[h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15176 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15904 182.1
[M+Na]+ 356.14098 192.2
[M-H]- 332.14448 190.0
[M+NH4]+ 351.18558 197.0
[M+K]+ 372.11492 183.3
[M+H-H2O]+ 316.14902 170.8
[M+HCOO]- 378.14996 201.2
[M+CH3COO]- 392.16561 192.8
[M+Na-2H]- 354.12643 190.6
[M]+ 333.15121 183.5
[M]- 333.15231 183.5
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.