CID 12004284

N-(5-methylisoxazol-3-yl)-4-[(e)-(6-methyl-4-oxo-chromen-3-yl)methyleneamino]benzenesulfonamide

Structural Information

Molecular Formula
C21H17N3O5S
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC=C(C=C3)S(=O)(=O)NC4=NOC(=C4)C
InChI
InChI=1S/C21H17N3O5S/c1-13-3-8-19-18(9-13)21(25)15(12-28-19)11-22-16-4-6-17(7-5-16)30(26,27)24-20-10-14(2)29-23-20/h3-12H,1-2H3,(H,23,24)
InChIKey
DZYJUEXCHCVNLB-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0889 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09618 201.0
[M+Na]+ 446.07812 212.6
[M-H]- 422.08162 214.9
[M+NH4]+ 441.12272 210.6
[M+K]+ 462.05206 209.4
[M+H-H2O]+ 406.08616 192.2
[M+HCOO]- 468.08710 221.8
[M+CH3COO]- 482.10275 229.2
[M+Na-2H]- 444.06357 207.0
[M]+ 423.08835 210.6
[M]- 423.08945 210.6
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.