CID 20298093

2503209-34-3

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 177.9
[M+Na]+ 355.13769 189.4
[M+NH4]+ 350.18229 183.0
[M+K]+ 371.11163 184.9
[M-H]- 331.14119 179.5
[M+Na-2H]- 353.12314 181.6
[M]+ 332.14792 179.6
[M]- 332.14902 179.6
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