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

4
Patents

332.14847 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 178.7
[M+Na]+ 355.13769 185.4
[M-H]- 331.14119 180.3
[M+NH4]+ 350.18229 188.0
[M+K]+ 371.11163 181.6
[M+H-H2O]+ 315.14573 168.6
[M+HCOO]- 377.14667 192.4
[M+CH3COO]- 391.16232 211.9
[M+Na-2H]- 353.12314 180.4
[M]+ 332.14792 177.3
[M]- 332.14902 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