CID 3076040

2-(4-methacrylyl-1-piperazinyl)-4-(pentylthio)-quinazoline fumarate

Structural Information

Molecular Formula
C21H30N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC(=C)C
InChI
InChI=1S/C21H30N4O/c1-4-5-8-15-26-20-18-9-6-7-10-19(18)22-21(23-20)25-13-11-24(12-14-25)16-17(2)3/h6-7,9-10H,2,4-5,8,11-16H2,1,3H3
InChIKey
HBTXZBMFPOAMQZ-UHFFFAOYSA-N
Compound name
2-[4-(2-methylprop-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

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24925 191.3
[M+Na]+ 377.23119 204.4
[M+NH4]+ 372.27579 197.5
[M+K]+ 393.20513 195.9
[M-H]- 353.23469 193.6
[M+Na-2H]- 375.21664 196.3
[M]+ 354.24142 193.7
[M]- 354.24252 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.