CID 154857282

2-ethylthio-4-methylaminoquinazoline

Structural Information

Molecular Formula
C11H13N3S
SMILES
CCSC1=NC2=CC=CC=C2C(=N1)NC
InChI
InChI=1S/C11H13N3S/c1-3-15-11-13-9-7-5-4-6-8(9)10(12-2)14-11/h4-7H,3H2,1-2H3,(H,12,13,14)
InChIKey
HTIXIBXUDRMWKV-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.08302 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 145.1
[M+Na]+ 242.072238 154.6
[M-H]- 218.075744 147.3
[M+NH4]+ 237.116843 162.8
[M+K]+ 258.046178 150.0
[M+H-H2O]+ 202.080280 137.7
[M+HCOO]- 264.081221 162.2
[M+CH3COO]- 278.096871 157.5
[M+Na-2H]- 240.057686 151.6
[M]+ 219.08247142 147.9
[M]- 219.08356858 147.9
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

No patent data available for this compound.