CID 12277602

4-chloro-6-methoxy-2-methylquinazoline

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=NC2=C(C=C(C=C2)OC)C(=N1)Cl
InChI
InChI=1S/C10H9ClN2O/c1-6-12-9-4-3-7(14-2)5-8(9)10(11)13-6/h3-5H,1-2H3
InChIKey
YOQQPWWCYHJCGV-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-2-methylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

208.04034 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 140.6
[M+Na]+ 231.02956 152.6
[M-H]- 207.03306 143.0
[M+NH4]+ 226.07416 159.5
[M+K]+ 247.00350 148.2
[M+H-H2O]+ 191.03760 133.9
[M+HCOO]- 253.03854 157.6
[M+CH3COO]- 267.05419 154.4
[M+Na-2H]- 229.01501 149.0
[M]+ 208.03979 145.2
[M]- 208.04089 145.2
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

patents stripe