CID 13036393

2-chloro-6,7-dimethoxy-n-methylquinazolin-4-amine

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CNC1=NC(=NC2=CC(=C(C=C21)OC)OC)Cl
InChI
InChI=1S/C11H12ClN3O2/c1-13-10-6-4-8(16-2)9(17-3)5-7(6)14-11(12)15-10/h4-5H,1-3H3,(H,13,14,15)
InChIKey
FVWYGTJYNUOMDT-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethoxy-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.0618 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 152.9
[M+Na]+ 276.05102 164.4
[M-H]- 252.05452 155.5
[M+NH4]+ 271.09562 169.8
[M+K]+ 292.02496 160.2
[M+H-H2O]+ 236.05906 145.7
[M+HCOO]- 298.06000 170.8
[M+CH3COO]- 312.07565 197.5
[M+Na-2H]- 274.03647 160.4
[M]+ 253.06125 159.1
[M]- 253.06235 159.1
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