CID 3076010

2-(4-butyl-1-piperazinyl)-4-pentyloxyquinazoline fumarate

Structural Information

Molecular Formula
C21H32N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CCCC
InChI
InChI=1S/C21H32N4O/c1-3-5-9-17-26-20-18-10-7-8-11-19(18)22-21(23-20)25-15-13-24(14-16-25)12-6-4-2/h7-8,10-11H,3-6,9,12-17H2,1-2H3
InChIKey
RAARMQCCXNOAFM-UHFFFAOYSA-N
Compound name
2-(4-butylpiperazin-1-yl)-4-pentoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2576 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26488 193.7
[M+Na]+ 379.24682 198.0
[M-H]- 355.25032 193.6
[M+NH4]+ 374.29142 201.6
[M+K]+ 395.22076 191.8
[M+H-H2O]+ 339.25486 180.9
[M+HCOO]- 401.25580 205.5
[M+CH3COO]- 415.27145 217.7
[M+Na-2H]- 377.23227 195.5
[M]+ 356.25705 193.7
[M]- 356.25815 193.7
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.