CID 6510106

85302-44-9

Structural Information

Molecular Formula
C21H22N4O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)N/N=C(/C)\C3=CC=C(C=C3)N)C
InChI
InChI=1S/C21H22N4O5S/c1-11-9-13(3)20(19-18(11)12(2)10-17(26)30-19)31(28,29)25-21(27)24-23-14(4)15-5-7-16(22)8-6-15/h5-10H,22H2,1-4H3,(H2,24,25,27)/b23-14-
InChIKey
MKQXBSDHQDFFLT-UCQKPKSFSA-N
Compound name
1-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1311 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13838 205.5
[M+Na]+ 465.12032 212.5
[M-H]- 441.12382 214.8
[M+NH4]+ 460.16492 214.1
[M+K]+ 481.09426 209.7
[M+H-H2O]+ 425.12836 196.0
[M+HCOO]- 487.12930 223.7
[M+CH3COO]- 501.14495 242.3
[M+Na-2H]- 463.10577 208.6
[M]+ 442.13055 210.3
[M]- 442.13165 210.3
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.