CID 135804069

85302-45-0

Structural Information

Molecular Formula
C21H21N3O6S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)N/N=C(/C)\C3=CC=C(C=C3)O)C
InChI
InChI=1S/C21H21N3O6S/c1-11-9-13(3)20(19-18(11)12(2)10-17(26)30-19)31(28,29)24-21(27)23-22-14(4)15-5-7-16(25)8-6-15/h5-10,25H,1-4H3,(H2,23,24,27)/b22-14-
InChIKey
URBFJWFOWRNPJI-HMAPJEAMSA-N
Compound name
1-[(Z)-1-(4-hydroxyphenyl)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

443.1151 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12238 203.3
[M+Na]+ 466.10432 210.5
[M-H]- 442.10782 211.9
[M+NH4]+ 461.14892 211.7
[M+K]+ 482.07826 207.9
[M+H-H2O]+ 426.11236 194.3
[M+HCOO]- 488.11330 219.9
[M+CH3COO]- 502.12895 237.6
[M+Na-2H]- 464.08977 206.7
[M]+ 443.11455 209.4
[M]- 443.11565 209.4
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

No patent data available for this compound.