CID 129560

Quinazoline, 4-(pentyloxy)-2-(4-(2-propenyl)-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H28N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C
InChI
InChI=1S/C20H28N4O/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24/h4,6-7,9-10H,2-3,5,8,11-16H2,1H3
InChIKey
SILQTPIQCRBVFV-UHFFFAOYSA-N
Compound name
4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

340.22632 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.23360 188.3
[M+Na]+ 363.21554 193.5
[M-H]- 339.21904 188.5
[M+NH4]+ 358.26014 196.9
[M+K]+ 379.18948 186.8
[M+H-H2O]+ 323.22358 175.9
[M+HCOO]- 385.22452 200.7
[M+CH3COO]- 399.24017 214.1
[M+Na-2H]- 361.20099 190.7
[M]+ 340.22577 187.4
[M]- 340.22687 187.4
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