CID 20298093

1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C16H20N4O4
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)O)N)OC
InChI
InChI=1S/C16H20N4O4/c1-23-12-7-10-11(8-13(12)24-2)18-16(19-14(10)17)20-5-3-9(4-6-20)15(21)22/h7-9H,3-6H2,1-2H3,(H,21,22)(H2,17,18,19)
InChIKey
VKAOJUHYNXZMSM-UHFFFAOYSA-N
Compound name
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

332.14847 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 178.7
[M+Na]+ 355.137688 185.4
[M-H]- 331.141194 180.3
[M+NH4]+ 350.182293 188.0
[M+K]+ 371.111628 181.6
[M+H-H2O]+ 315.145730 168.6
[M+HCOO]- 377.146671 192.4
[M+CH3COO]- 391.162321 211.9
[M+Na-2H]- 353.123136 180.4
[M]+ 332.14792142 177.3
[M]- 332.14901858 177.3
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