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]+ 205.079386 140.9
[M+Na]+ 227.061328 151.7
[M-H]- 203.064834 143.3
[M+NH4]+ 222.105933 159.6
[M+K]+ 243.035268 146.6
[M+H-H2O]+ 187.069370 134.0
[M+HCOO]- 249.070311 157.2
[M+CH3COO]- 263.085961 154.0
[M+Na-2H]- 225.046776 146.8
[M]+ 204.07156142 143.7
[M]- 204.07265858 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.