CID 5481000

Chembl63420

Structural Information

Molecular Formula
C24H23N3O5S
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H23N3O5S/c1-15-20(27-33(29,30)19-11-9-18(31-3)10-12-19)13-14-21-22(15)23(28)32-24(26-21)25-16(2)17-7-5-4-6-8-17/h4-14,16,27H,1-3H3,(H,25,26)/t16-/m1/s1
InChIKey
JIKNMJSADNYLOE-MRXNPFEDSA-N
Compound name
4-methoxy-N-[5-methyl-4-oxo-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.13583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.143106 210.1
[M+Na]+ 488.125048 217.4
[M-H]- 464.128554 220.1
[M+NH4]+ 483.169653 215.9
[M+K]+ 504.098988 213.4
[M+H-H2O]+ 448.133090 199.2
[M+HCOO]- 510.134031 225.4
[M+CH3COO]- 524.149681 238.3
[M+Na-2H]- 486.110496 215.3
[M]+ 465.13528142 216.0
[M]- 465.13637858 216.0
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.