CID 387018

Nsc680339

Structural Information

Molecular Formula
C18H14N2S
SMILES
CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1
InChI
InChI=1S/C18H14N2S/c1-21-17-11-13-10-12-6-2-4-8-15(12)20-18(13)14-7-3-5-9-16(14)19-17/h2-10H,11H2,1H3
InChIKey
OGFJXQMWIHXIGR-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-7H-quinolino[3,2-d][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08777 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09505 166.1
[M+Na]+ 313.07699 176.0
[M-H]- 289.08049 171.3
[M+NH4]+ 308.12159 182.2
[M+K]+ 329.05093 173.1
[M+H-H2O]+ 273.08503 159.4
[M+HCOO]- 335.08597 179.4
[M+CH3COO]- 349.10162 177.1
[M+Na-2H]- 311.06244 173.3
[M]+ 290.08722 166.6
[M]- 290.08832 166.6
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.