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]+ 220.09030 145.1
[M+Na]+ 242.07224 154.6
[M-H]- 218.07574 147.3
[M+NH4]+ 237.11684 162.8
[M+K]+ 258.04618 150.0
[M+H-H2O]+ 202.08028 137.7
[M+HCOO]- 264.08122 162.2
[M+CH3COO]- 278.09687 157.5
[M+Na-2H]- 240.05769 151.6
[M]+ 219.08247 147.9
[M]- 219.08357 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.