CID 3069828

85302-48-3

Structural Information

Molecular Formula
C19H23N3O5S
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)C)S(=O)(=O)NC(=O)NN=C3CCCCC3)C
InChI
InChI=1S/C19H23N3O5S/c1-11-9-13(3)18(17-16(11)12(2)10-15(23)27-17)28(25,26)22-19(24)21-20-14-7-5-4-6-8-14/h9-10H,4-8H2,1-3H3,(H2,21,22,24)
InChIKey
RHNQGIDIISASBI-UHFFFAOYSA-N
Compound name
1-(cyclohexylideneamino)-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14311 192.1
[M+Na]+ 428.12505 197.8
[M-H]- 404.12855 201.0
[M+NH4]+ 423.16965 202.7
[M+K]+ 444.09899 195.2
[M+H-H2O]+ 388.13309 183.6
[M+HCOO]- 450.13403 207.8
[M+CH3COO]- 464.14968 230.2
[M+Na-2H]- 426.11050 195.9
[M]+ 405.13528 194.2
[M]- 405.13638 194.2
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.