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]+ 313.20228 179.7
[M+Na]+ 335.18422 185.8
[M-H]- 311.18772 180.3
[M+NH4]+ 330.22882 189.4
[M+K]+ 351.15816 179.6
[M+H-H2O]+ 295.19226 167.7
[M+HCOO]- 357.19320 192.8
[M+CH3COO]- 371.20885 187.7
[M+Na-2H]- 333.16967 183.2
[M]+ 312.19445 178.1
[M]- 312.19555 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.