CID 1713515

2-chloro-6,7-dimethoxy-4-(1-piperidinyl)quinazoline

Structural Information

Molecular Formula
C15H18ClN3O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCCCC3)OC
InChI
InChI=1S/C15H18ClN3O2/c1-20-12-8-10-11(9-13(12)21-2)17-15(16)18-14(10)19-6-4-3-5-7-19/h8-9H,3-7H2,1-2H3
InChIKey
DWOFFORQAYHWLH-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethoxy-4-piperidin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

307.10876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11604 170.8
[M+Na]+ 330.09798 179.4
[M-H]- 306.10148 173.5
[M+NH4]+ 325.14258 183.4
[M+K]+ 346.07192 174.1
[M+H-H2O]+ 290.10602 160.6
[M+HCOO]- 352.10696 181.7
[M+CH3COO]- 366.12261 180.7
[M+Na-2H]- 328.08343 174.8
[M]+ 307.10821 172.4
[M]- 307.10931 172.4
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