CID 3076020

2-(4-methyl-1-piperazinyl)-4-pentlyloxyquinazoline fumarate

Structural Information

Molecular Formula
C18H26N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C
InChI
InChI=1S/C18H26N4O/c1-3-4-7-14-23-17-15-8-5-6-9-16(15)19-18(20-17)22-12-10-21(2)11-13-22/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKey
WXNAMPZRXLOUFD-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-pentoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.21066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21794 180.7
[M+Na]+ 337.19988 186.5
[M-H]- 313.20338 181.3
[M+NH4]+ 332.24448 190.5
[M+K]+ 353.17382 180.9
[M+H-H2O]+ 297.20792 168.7
[M+HCOO]- 359.20886 193.7
[M+CH3COO]- 373.22451 188.7
[M+Na-2H]- 335.18533 184.2
[M]+ 314.21011 179.9
[M]- 314.21121 179.9
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.