CID 3370511

1h,5h,6h,10bh-pyrazolo[1,5-c]quinazoline-5-thione

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1C=NN2C1C3=CC=CC=C3NC2=S
InChI
InChI=1S/C10H9N3S/c14-10-12-8-4-2-1-3-7(8)9-5-6-11-13(9)10/h1-4,6,9H,5H2,(H,12,14)
InChIKey
KHNGLFNKVNNTKI-UHFFFAOYSA-N
Compound name
6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

203.05171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 141.2
[M+Na]+ 226.04093 151.7
[M-H]- 202.04443 141.6
[M+NH4]+ 221.08553 160.5
[M+K]+ 242.01487 146.2
[M+H-H2O]+ 186.04897 134.7
[M+HCOO]- 248.04991 153.2
[M+CH3COO]- 262.06556 153.2
[M+Na-2H]- 224.02638 145.4
[M]+ 203.05116 139.6
[M]- 203.05226 139.6
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