CID 138468815

2298391-60-1

Structural Information

Molecular Formula
C16H22N3O4P
SMILES
COC1=CC=CC2=C1N=CN=C2N3CCC(CC3)CCP(=O)(O)O
InChI
InChI=1S/C16H22N3O4P/c1-23-14-4-2-3-13-15(14)17-11-18-16(13)19-8-5-12(6-9-19)7-10-24(20,21)22/h2-4,11-12H,5-10H2,1H3,(H2,20,21,22)
InChIKey
IXXUGBPAQOKGTM-UHFFFAOYSA-N
Compound name
2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

351.1348 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14208 182.6
[M+Na]+ 374.12402 193.4
[M+NH4]+ 369.16862 187.4
[M+K]+ 390.09796 188.8
[M-H]- 350.12752 182.6
[M+Na-2H]- 372.10947 186.3
[M]+ 351.13425 183.8
[M]- 351.13535 183.8
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