CID 63980

117038-96-7

Structural Information

Molecular Formula
C25H30N4O2S
SMILES
CCN(CC)CC(CN1CCCC1=O)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C25H30N4O2S/c1-3-27(4-2)17-20(18-28-16-10-15-23(28)30)32-25-26-22-14-9-8-13-21(22)24(31)29(25)19-11-6-5-7-12-19/h5-9,11-14,20H,3-4,10,15-18H2,1-2H3
InChIKey
CKRZRXXPADPFOR-UHFFFAOYSA-N
Compound name
2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20895 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21623 209.8
[M+Na]+ 473.19817 215.2
[M-H]- 449.20167 217.0
[M+NH4]+ 468.24277 217.9
[M+K]+ 489.17211 208.9
[M+H-H2O]+ 433.20621 198.7
[M+HCOO]- 495.20715 221.9
[M+CH3COO]- 509.22280 217.1
[M+Na-2H]- 471.18362 206.9
[M]+ 450.20840 213.5
[M]- 450.20950 213.5
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.