CID 11289942

4-chloro-6,7-bis(2-methoxyethoxy)quinazoline

Structural Information

Molecular Formula
C14H17ClN2O4
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCOC
InChI
InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
InChIKey
ZPJLDMNVDPGZIU-UHFFFAOYSA-N
Compound name
4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

470
Patents

312.08768 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09496 167.1
[M+Na]+ 335.07690 176.8
[M-H]- 311.08040 168.8
[M+NH4]+ 330.12150 181.4
[M+K]+ 351.05084 173.3
[M+H-H2O]+ 295.08494 158.8
[M+HCOO]- 357.08588 183.3
[M+CH3COO]- 371.10153 204.4
[M+Na-2H]- 333.06235 173.5
[M]+ 312.08713 177.4
[M]- 312.08823 177.4
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