CID 137550544

{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid

Structural Information

Molecular Formula
C17H24N3O5P
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CCP(=O)(O)O)OC
InChI
InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey
SNLWMWQNJTVWKD-UHFFFAOYSA-N
Compound name
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

381.14536 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15264 192.1
[M+Na]+ 404.13458 196.9
[M-H]- 380.13808 191.0
[M+NH4]+ 399.17918 199.4
[M+K]+ 420.10852 193.6
[M+H-H2O]+ 364.14262 179.6
[M+HCOO]- 426.14356 207.8
[M+CH3COO]- 440.15921 215.2
[M+Na-2H]- 402.12003 192.2
[M]+ 381.14481 192.3
[M]- 381.14591 192.3
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