CID 3076006

129664-00-2

Structural Information

Molecular Formula
C18H24N4O
SMILES
CCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C
InChI
InChI=1S/C18H24N4O/c1-3-9-21-10-12-22(13-11-21)18-19-16-8-6-5-7-15(16)17(20-18)23-14-4-2/h3,5-8H,1,4,9-14H2,2H3
InChIKey
IDYHWJDOIJSCMW-UHFFFAOYSA-N
Compound name
2-(4-prop-2-enylpiperazin-1-yl)-4-propoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.202276 179.7
[M+Na]+ 335.184218 185.8
[M-H]- 311.187724 180.3
[M+NH4]+ 330.228823 189.4
[M+K]+ 351.158158 179.6
[M+H-H2O]+ 295.192260 167.7
[M+HCOO]- 357.193201 192.8
[M+CH3COO]- 371.208851 187.7
[M+Na-2H]- 333.169666 183.2
[M]+ 312.19445142 178.1
[M]- 312.19554858 178.1
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.