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

88
Patents

192.04543 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 137.5
[M+Na]+ 215.034648 149.6
[M-H]- 191.038154 139.8
[M+NH4]+ 210.079253 157.1
[M+K]+ 231.008588 144.6
[M+H-H2O]+ 175.042690 130.9
[M+HCOO]- 237.043631 154.3
[M+CH3COO]- 251.059281 151.4
[M+Na-2H]- 213.020096 145.9
[M]+ 192.04488142 140.6
[M]- 192.04597858 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