CID 6449178

2-(2-butenyl-1-piperazinyl)-4-pentoxyquinazoline fumarate

Structural Information

Molecular Formula
C21H30N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C/C=C/C
InChI
InChI=1S/C21H30N4O/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/h4,6-8,10-11H,3,5,9,12-17H2,1-2H3/b6-4+
InChIKey
FYGWLXFTCWBFOJ-GQCTYLIASA-N
Compound name
2-[4-[(E)-but-2-enyl]piperazin-1-yl]-4-pentoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.24197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24925 193.0
[M+Na]+ 377.23119 197.7
[M-H]- 353.23469 193.0
[M+NH4]+ 372.27579 201.0
[M+K]+ 393.20513 190.9
[M+H-H2O]+ 337.23923 180.3
[M+HCOO]- 399.24017 205.0
[M+CH3COO]- 413.25582 216.4
[M+Na-2H]- 375.21664 194.8
[M]+ 354.24142 192.2
[M]- 354.24252 192.2
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.