CID 11430418

Tzb 30878

Structural Information

Molecular Formula
C25H32N6O
SMILES
C1CCC2=C(C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N
InChI
InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
InChIKey
WFQOETMVYMINSA-UHFFFAOYSA-N
Compound name
3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

432.26376 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.27104 211.3
[M+Na]+ 455.25298 215.4
[M-H]- 431.25648 213.2
[M+NH4]+ 450.29758 214.3
[M+K]+ 471.22692 206.0
[M+H-H2O]+ 415.26102 195.8
[M+HCOO]- 477.26196 218.6
[M+CH3COO]- 491.27761 215.3
[M+Na-2H]- 453.23843 212.6
[M]+ 432.26321 204.7
[M]- 432.26431 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe