CID 18932894

4-chloro-6,7-dimethylquinazoline

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=CC2=C(C=C1C)N=CN=C2Cl
InChI
InChI=1S/C10H9ClN2/c1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h3-5H,1-2H3
InChIKey
WIKQNBCDJYNKED-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

192.04543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 137.5
[M+Na]+ 215.03465 149.6
[M-H]- 191.03815 139.8
[M+NH4]+ 210.07925 157.1
[M+K]+ 231.00859 144.6
[M+H-H2O]+ 175.04269 130.9
[M+HCOO]- 237.04363 154.3
[M+CH3COO]- 251.05928 151.4
[M+Na-2H]- 213.02010 145.9
[M]+ 192.04488 140.6
[M]- 192.04598 140.6
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

patents stripe