CID 804988

146381-56-8

Structural Information

Molecular Formula
C11H10N2OS
SMILES
C1CC1N2C(=O)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C11H10N2OS/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7H,5-6H2,(H,12,15)
InChIKey
HXZKZIDCGWOBNU-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

218.05139 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 146.6
[M+Na]+ 241.04061 159.4
[M-H]- 217.04411 151.6
[M+NH4]+ 236.08521 159.1
[M+K]+ 257.01455 152.3
[M+H-H2O]+ 201.04865 139.4
[M+HCOO]- 263.04959 162.5
[M+CH3COO]- 277.06524 158.9
[M+Na-2H]- 239.02606 151.3
[M]+ 218.05084 149.4
[M]- 218.05194 149.4
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.