CID 3069827

85302-47-2

Structural Information

Molecular Formula
C26H23N3O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)NN=C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H23N3O5S/c1-16-14-18(3)25(24-22(16)17(2)15-21(30)34-24)35(32,33)29-26(31)28-27-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3,(H2,28,29,31)
InChIKey
PGVOQVAJAASJMD-UHFFFAOYSA-N
Compound name
1-(benzhydrylideneamino)-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.13583 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.14311 217.5
[M+Na]+ 512.12505 223.8
[M-H]- 488.12855 229.8
[M+NH4]+ 507.16965 223.9
[M+K]+ 528.09899 220.2
[M+H-H2O]+ 472.13309 206.7
[M+HCOO]- 534.13403 235.2
[M+CH3COO]- 548.14968 246.6
[M+Na-2H]- 510.11050 221.8
[M]+ 489.13528 222.6
[M]- 489.13638 222.6
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.