CID 3025179

Quinazoline, 4-(2-quinolinylthio)-

Structural Information

Molecular Formula
C17H11N3S
SMILES
C1=CC=C2C(=C1)C=CC(=N2)SC3=NC=NC4=CC=CC=C43
InChI
InChI=1S/C17H11N3S/c1-3-7-14-12(5-1)9-10-16(20-14)21-17-13-6-2-4-8-15(13)18-11-19-17/h1-11H
InChIKey
LPTXLLHXJSYYFB-UHFFFAOYSA-N
Compound name
4-quinolin-2-ylsulfanylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06738 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07466 162.6
[M+Na]+ 312.05660 174.4
[M-H]- 288.06010 167.5
[M+NH4]+ 307.10120 176.6
[M+K]+ 328.03054 166.5
[M+H-H2O]+ 272.06464 152.9
[M+HCOO]- 334.06558 178.1
[M+CH3COO]- 348.08123 174.2
[M+Na-2H]- 310.04205 172.3
[M]+ 289.06683 165.9
[M]- 289.06793 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.