CID 2736557

16064-21-4

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CCC2=C(C1)C(=O)NC(=S)N2
InChI
InChI=1S/C8H10N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H2,(H2,9,10,11,12)
InChIKey
BRCPOVNFTXLBPI-UHFFFAOYSA-N
Compound name
2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

326
Patents

182.05139 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 134.4
[M+Na]+ 205.040608 143.6
[M-H]- 181.044114 133.7
[M+NH4]+ 200.085213 152.2
[M+K]+ 221.014548 137.8
[M+H-H2O]+ 165.048650 128.6
[M+HCOO]- 227.049591 146.2
[M+CH3COO]- 241.065241 146.1
[M+Na-2H]- 203.026056 139.0
[M]+ 182.05084142 130.5
[M]- 182.05193858 130.5
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