CID 3076016

4-pentyloxy-2-piperidinoquinazoline fumarate

Structural Information

Molecular Formula
C17H24N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCNCC3
InChI
InChI=1S/C17H24N4O/c1-2-3-6-13-22-16-14-7-4-5-8-15(14)19-17(20-16)21-11-9-18-10-12-21/h4-5,7-8,18H,2-3,6,9-13H2,1H3
InChIKey
PYWJCJRWRINERV-UHFFFAOYSA-N
Compound name
4-pentoxy-2-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20228 175.5
[M+Na]+ 323.18422 188.8
[M+NH4]+ 318.22882 182.4
[M+K]+ 339.15816 180.6
[M-H]- 299.18772 177.7
[M+Na-2H]- 321.16967 181.6
[M]+ 300.19445 177.9
[M]- 300.19555 177.9
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.