CID 63982

117038-97-8

Structural Information

Molecular Formula
C26H32N4O2S
SMILES
CCN(CC)CC(CN1CCCC1=O)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C
InChI
InChI=1S/C26H32N4O2S/c1-4-28(5-2)17-21(18-29-16-8-11-24(29)31)33-26-27-23-10-7-6-9-22(23)25(32)30(26)20-14-12-19(3)13-15-20/h6-7,9-10,12-15,21H,4-5,8,11,16-18H2,1-3H3
InChIKey
ZGYJSUYVZJINPA-UHFFFAOYSA-N
Compound name
2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2246 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23188 212.6
[M+Na]+ 487.21382 225.4
[M+NH4]+ 482.25842 218.9
[M+K]+ 503.18776 217.1
[M-H]- 463.21732 217.8
[M+Na-2H]- 485.19927 218.8
[M]+ 464.22405 216.3
[M]- 464.22515 216.3
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.