CID 63324

117038-99-0

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
C1CCN(CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI
InChI=1S/C26H30N4O2S/c31-24-14-9-17-29(24)19-21(18-28-15-7-2-8-16-28)33-26-27-23-13-6-5-12-22(23)25(32)30(26)20-10-3-1-4-11-20/h1,3-6,10-13,21H,2,7-9,14-19H2
InChIKey
UXODTBJUKFXMKN-UHFFFAOYSA-N
Compound name
2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20895 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 211.5
[M+Na]+ 485.19817 215.6
[M-H]- 461.20167 218.0
[M+NH4]+ 480.24277 216.5
[M+K]+ 501.17211 207.7
[M+H-H2O]+ 445.20621 199.1
[M+HCOO]- 507.20715 217.5
[M+CH3COO]- 521.22280 216.8
[M+Na-2H]- 483.18362 206.9
[M]+ 462.20840 208.5
[M]- 462.20950 208.5
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.