CID 485231

4-isopropylthioquinazoline

Structural Information

Molecular Formula
C11H12N2S
SMILES
CC(C)SC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C11H12N2S/c1-8(2)14-11-9-5-3-4-6-10(9)12-7-13-11/h3-8H,1-2H3
InChIKey
XPPONCPXZPXFEL-UHFFFAOYSA-N
Compound name
4-propan-2-ylsulfanylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.07211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 141.5
[M+Na]+ 227.06133 150.7
[M-H]- 203.06483 143.6
[M+NH4]+ 222.10593 159.8
[M+K]+ 243.03527 146.9
[M+H-H2O]+ 187.06937 134.4
[M+HCOO]- 249.07031 156.7
[M+CH3COO]- 263.08596 154.1
[M+Na-2H]- 225.04678 147.1
[M]+ 204.07156 144.0
[M]- 204.07266 144.0
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.