CID 114097

3-propylquinazoline-4(3h)-thione

Structural Information

Molecular Formula
C11H12N2S
SMILES
CCCN1C=NC2=CC=CC=C2C1=S
InChI
InChI=1S/C11H12N2S/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h3-6,8H,2,7H2,1H3
InChIKey
UXSVFLJNNWQYJC-UHFFFAOYSA-N
Compound name
3-propylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 140.9
[M+Na]+ 227.06133 151.7
[M-H]- 203.06483 143.3
[M+NH4]+ 222.10593 159.6
[M+K]+ 243.03527 146.6
[M+H-H2O]+ 187.06937 134.0
[M+HCOO]- 249.07031 157.2
[M+CH3COO]- 263.08596 154.0
[M+Na-2H]- 225.04678 146.8
[M]+ 204.07156 143.7
[M]- 204.07266 143.7
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.