CID 135537937

865659-26-3

Structural Information

Molecular Formula
C9H12N4OS
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)NC(=S)N
InChI
InChI=1S/C9H12N4OS/c10-8(15)13-9-11-6-4-2-1-3-5(6)7(14)12-9/h1-4H2,(H4,10,11,12,13,14,15)
InChIKey
HZIVPGSILUOTLB-UHFFFAOYSA-N
Compound name
(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07318 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08046 145.1
[M+Na]+ 247.06240 152.2
[M-H]- 223.06590 144.8
[M+NH4]+ 242.10700 160.7
[M+K]+ 263.03634 147.0
[M+H-H2O]+ 207.07044 138.2
[M+HCOO]- 269.07138 158.3
[M+CH3COO]- 283.08703 188.5
[M+Na-2H]- 245.04785 149.0
[M]+ 224.07263 140.2
[M]- 224.07373 140.2
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.