CID 3791996

3-(1-hydroxybutan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CCC(CO)N1C(=O)C2=CC=CC=C2NC1=S
InChI
InChI=1S/C12H14N2O2S/c1-2-8(7-15)14-11(16)9-5-3-4-6-10(9)13-12(14)17/h3-6,8,15H,2,7H2,1H3,(H,13,17)
InChIKey
AOBVXRZVXJMGGN-UHFFFAOYSA-N
Compound name
3-(1-hydroxybutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 154.4
[M+Na]+ 273.06682 167.5
[M+NH4]+ 268.11142 161.6
[M+K]+ 289.04076 159.4
[M-H]- 249.07032 154.8
[M+Na-2H]- 271.05227 158.8
[M]+ 250.07705 156.8
[M]- 250.07815 156.8
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.