CID 477483

Chembl104680

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
CC1=CSC2=C1C(=O)OC(=N2)CC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)NOC
InChI
InChI=1S/C22H19N3O4S/c1-13-12-30-21-19(13)22(27)29-18(24-21)10-14-5-3-7-16(9-14)23-20(26)15-6-4-8-17(11-15)25-28-2/h3-9,11-12,25H,10H2,1-2H3,(H,23,26)
InChIKey
ZGCPVAZVXBWXBV-UHFFFAOYSA-N
Compound name
3-(methoxyamino)-N-[3-[(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.10962 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 199.0
[M+Na]+ 444.09884 208.4
[M-H]- 420.10234 210.4
[M+NH4]+ 439.14344 209.3
[M+K]+ 460.07278 203.8
[M+H-H2O]+ 404.10688 189.8
[M+HCOO]- 466.10782 218.9
[M+CH3COO]- 480.12347 209.5
[M+Na-2H]- 442.08429 201.8
[M]+ 421.10907 206.7
[M]- 421.11017 206.7
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.