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 142.7
[M+Na]+ 227.06133 158.2
[M+NH4]+ 222.10593 152.4
[M+K]+ 243.03527 147.7
[M-H]- 203.06483 145.7
[M+Na-2H]- 225.04678 150.2
[M]+ 204.07156 146.4
[M]- 204.07266 146.4
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.