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]+ 444.122376 203.3
[M+Na]+ 466.104318 210.5
[M-H]- 442.107824 211.9
[M+NH4]+ 461.148923 211.7
[M+K]+ 482.078258 207.9
[M+H-H2O]+ 426.112360 194.3
[M+HCOO]- 488.113301 219.9
[M+CH3COO]- 502.128951 237.6
[M+Na-2H]- 464.089766 206.7
[M]+ 443.11455142 209.4
[M]- 443.11564858 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.