CID 169860367

2,4-dimethoxy-n-(4-methoxy-6-(1,3-thiazol-2-yloxy)-1,2-benzoxazol-3-yl)-6-methylpyridine-3-sulfonamide

Structural Information

Molecular Formula
C19H18N4O7S2
SMILES
CC1=CC(=C(C(=N1)OC)S(=O)(=O)NC2=NOC3=C2C(=CC(=C3)OC4=NC=CS4)OC)OC
InChI
InChI=1S/C19H18N4O7S2/c1-10-7-14(27-3)16(18(21-10)28-4)32(24,25)23-17-15-12(26-2)8-11(9-13(15)30-22-17)29-19-20-5-6-31-19/h5-9H,1-4H3,(H,22,23)
InChIKey
BXRXBRGXKMVJRX-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-N-[4-methoxy-6-(1,3-thiazol-2-yloxy)-1,2-benzoxazol-3-yl]-6-methylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

478.06168 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06896 207.7
[M+Na]+ 501.05090 219.5
[M-H]- 477.05440 217.7
[M+NH4]+ 496.09550 215.9
[M+K]+ 517.02484 216.8
[M+H-H2O]+ 461.05894 201.4
[M+HCOO]- 523.05988 221.2
[M+CH3COO]- 537.07553 232.0
[M+Na-2H]- 499.03635 209.9
[M]+ 478.06113 222.4
[M]- 478.06223 222.4
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

patents stripe