CID 485229

4-phenethylsulfanylquinazoline

Structural Information

Molecular Formula
C16H14N2S
SMILES
C1=CC=C(C=C1)CCSC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C16H14N2S/c1-2-6-13(7-3-1)10-11-19-16-14-8-4-5-9-15(14)17-12-18-16/h1-9,12H,10-11H2
InChIKey
ZGKHKEOCXXBQKP-UHFFFAOYSA-N
Compound name
4-(2-phenylethylsulfanyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.08777 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 157.9
[M+Na]+ 289.07699 166.8
[M-H]- 265.08049 162.5
[M+NH4]+ 284.12159 173.2
[M+K]+ 305.05093 160.3
[M+H-H2O]+ 249.08503 149.0
[M+HCOO]- 311.08597 173.9
[M+CH3COO]- 325.10162 169.3
[M+Na-2H]- 287.06244 164.6
[M]+ 266.08722 159.9
[M]- 266.08832 159.9
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.