CID 63994

117063-97-5

Structural Information

Molecular Formula
C25H28N4O3S
SMILES
C1CC(=O)N(C1)CC(CN2CCOCC2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI
InChI=1S/C25H28N4O3S/c30-23-11-6-12-28(23)18-20(17-27-13-15-32-16-14-27)33-25-26-22-10-5-4-9-21(22)24(31)29(25)19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2
InChIKey
VDUHPBPDDRUJRO-UHFFFAOYSA-N
Compound name
2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

464.1882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.19548 210.1
[M+Na]+ 487.17742 214.8
[M-H]- 463.18092 217.6
[M+NH4]+ 482.22202 213.8
[M+K]+ 503.15136 208.8
[M+H-H2O]+ 447.18546 198.1
[M+HCOO]- 509.18640 216.0
[M+CH3COO]- 523.20205 215.9
[M+Na-2H]- 485.16287 206.4
[M]+ 464.18765 208.7
[M]- 464.18875 208.7
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

No patent data available for this compound.