CID 1713526

2-chloro-6,7-dimethoxy-4-(4-morpholinyl)quinazoline

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCOCC3)OC
InChI
InChI=1S/C14H16ClN3O3/c1-19-11-7-9-10(8-12(11)20-2)16-14(15)17-13(9)18-3-5-21-6-4-18/h7-8H,3-6H2,1-2H3
InChIKey
WTXAUEOICBJOQY-UHFFFAOYSA-N
Compound name
4-(2-chloro-6,7-dimethoxyquinazolin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

309.088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 169.8
[M+Na]+ 332.07722 178.9
[M-H]- 308.08072 173.5
[M+NH4]+ 327.12182 181.0
[M+K]+ 348.05116 175.5
[M+H-H2O]+ 292.08526 159.6
[M+HCOO]- 354.08620 180.3
[M+CH3COO]- 368.10185 180.1
[M+Na-2H]- 330.06267 174.9
[M]+ 309.08745 173.1
[M]- 309.08855 173.1
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