CID 3076034

2-(4-allyl-1-piperazinyl)-4-hexyloxyquinazoline fumarate

Structural Information

Molecular Formula
C21H30N4O
SMILES
CCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C
InChI
InChI=1S/C21H30N4O/c1-3-5-6-9-17-26-20-18-10-7-8-11-19(18)22-21(23-20)25-15-13-24(12-4-2)14-16-25/h4,7-8,10-11H,2-3,5-6,9,12-17H2,1H3
InChIKey
CBCPNSWFQYHJSR-UHFFFAOYSA-N
Compound name
4-hexoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.24197 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24925 192.6
[M+Na]+ 377.23119 197.3
[M-H]- 353.23469 192.6
[M+NH4]+ 372.27579 200.5
[M+K]+ 393.20513 190.4
[M+H-H2O]+ 337.23923 179.9
[M+HCOO]- 399.24017 204.6
[M+CH3COO]- 413.25582 217.0
[M+Na-2H]- 375.21664 194.5
[M]+ 354.24142 192.0
[M]- 354.24252 192.0
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.