CID 485230

4-allylsulfanylquinazoline

Structural Information

Molecular Formula
C11H10N2S
SMILES
C=CCSC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C11H10N2S/c1-2-7-14-11-9-5-3-4-6-10(9)12-8-13-11/h2-6,8H,1,7H2
InChIKey
GVPYNGMXQRALGU-UHFFFAOYSA-N
Compound name
4-prop-2-enylsulfanylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

202.05647 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 140.4
[M+Na]+ 225.04569 150.3
[M-H]- 201.04919 142.4
[M+NH4]+ 220.09029 158.8
[M+K]+ 241.01963 145.3
[M+H-H2O]+ 185.05373 133.3
[M+HCOO]- 247.05467 156.8
[M+CH3COO]- 261.07032 153.2
[M+Na-2H]- 223.03114 147.0
[M]+ 202.05592 142.8
[M]- 202.05702 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe