CID 15269580

2-chloro-4-methylquinazoline

Structural Information

Molecular Formula
C9H7ClN2
SMILES
CC1=NC(=NC2=CC=CC=C12)Cl
InChI
InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3
InChIKey
IBWHRWJEIRPDJQ-UHFFFAOYSA-N
Compound name
2-chloro-4-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

178.02977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.9
[M+Na]+ 201.01899 150.1
[M+NH4]+ 196.06359 143.2
[M+K]+ 216.99293 141.4
[M-H]- 177.02249 136.0
[M+Na-2H]- 199.00444 142.1
[M]+ 178.02922 136.8
[M]- 178.03032 136.8
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

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