CID 137550544

2298390-71-1

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

29
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.