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]+ 466.14311 210.1
[M+Na]+ 488.12505 217.4
[M-H]- 464.12855 220.1
[M+NH4]+ 483.16965 215.9
[M+K]+ 504.09899 213.4
[M+H-H2O]+ 448.13309 199.2
[M+HCOO]- 510.13403 225.4
[M+CH3COO]- 524.14968 238.3
[M+Na-2H]- 486.11050 215.3
[M]+ 465.13528 216.0
[M]- 465.13638 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.