CID 3370511

59553-09-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.05899	142.2
[M+Na]+	226.04093	155.2
[M+NH4]+	221.08553	151.7
[M+K]+	242.01487	147.7
[M-H]-	202.04443	143.6
[M+Na-2H]-	224.02638	146.6
[M]+	203.05116	144.8
[M]-	203.05226	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe