CID 3076004

2-(4-allyl-1-piperazinyl)-4-butoxyquinazoline fumarate (2:3)

Structural Information

Molecular Formula
C19H26N4O
SMILES
CCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C
InChI
InChI=1S/C19H26N4O/c1-3-5-15-24-18-16-8-6-7-9-17(16)20-19(21-18)23-13-11-22(10-4-2)12-14-23/h4,6-9H,2-3,5,10-15H2,1H3
InChIKey
OVMYKTZPNUHULZ-UHFFFAOYSA-N
Compound name
4-butoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.21066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21794 184.0
[M+Na]+ 349.19988 189.6
[M-H]- 325.20338 184.4
[M+NH4]+ 344.24448 193.2
[M+K]+ 365.17382 183.2
[M+H-H2O]+ 309.20792 171.8
[M+HCOO]- 371.20886 196.8
[M+CH3COO]- 385.22451 211.2
[M+Na-2H]- 347.18533 187.0
[M]+ 326.21011 182.8
[M]- 326.21121 182.8
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.