CID 977351

2-cyclopropylquinazoline-4-thiol

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1CC1C2=NC(=S)C3=CC=CC=C3N2
InChI
InChI=1S/C11H10N2S/c14-11-8-3-1-2-4-9(8)12-10(13-11)7-5-6-7/h1-4,7H,5-6H2,(H,12,13,14)
InChIKey
ATFIUEQKSVGHPD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1H-quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

202.05647 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.063746 141.9
[M+Na]+ 225.045688 153.9
[M-H]- 201.049194 146.6
[M+NH4]+ 220.090293 155.0
[M+K]+ 241.019628 147.2
[M+H-H2O]+ 185.053730 134.6
[M+HCOO]- 247.054671 157.7
[M+CH3COO]- 261.070321 154.2
[M+Na-2H]- 223.031136 147.5
[M]+ 202.05592142 143.7
[M]- 202.05701858 143.7
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

patents stripe