CID 1278141

2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-n-(3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C20H20N4O4S
SMILES
CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H20N4O4S/c1-13(2)11-23-19(26)16-8-3-4-9-17(16)22-20(23)29-12-18(25)21-14-6-5-7-15(10-14)24(27)28/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKey
QPGILSXEKPZYHZ-UHFFFAOYSA-N
Compound name
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12778 190.1
[M+Na]+ 435.10972 203.5
[M+NH4]+ 430.15432 195.8
[M+K]+ 451.08366 197.9
[M-H]- 411.11322 194.6
[M+Na-2H]- 433.09517 196.5
[M]+ 412.11995 193.5
[M]- 412.12105 193.5
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.