CID 3076018

4-heptyloxy-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Structural Information

Molecular Formula
C20H30N4O
SMILES
CCCCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C
InChI
InChI=1S/C20H30N4O/c1-3-4-5-6-9-16-25-19-17-10-7-8-11-18(17)21-20(22-19)24-14-12-23(2)13-15-24/h7-8,10-11H,3-6,9,12-16H2,1-2H3
InChIKey
NEZISXWJMPTLFY-UHFFFAOYSA-N
Compound name
4-heptoxy-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.24197 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.24925 189.4
[M+Na]+ 365.23119 194.2
[M-H]- 341.23469 189.5
[M+NH4]+ 360.27579 197.9
[M+K]+ 381.20513 188.2
[M+H-H2O]+ 325.23923 176.8
[M+HCOO]- 387.24017 201.6
[M+CH3COO]- 401.25582 214.8
[M+Na-2H]- 363.21664 191.8
[M]+ 342.24142 189.1
[M]- 342.24252 189.1
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.