CID 3069822

N-((butylamino)carbonyl)-4,5,7-trimethyl-2-oxo-2h-1-benzopyran-8-sulfonamide

Structural Information

Molecular Formula
C17H22N2O5S
SMILES
CCCCNC(=O)NS(=O)(=O)C1=C(C=C(C2=C1OC(=O)C=C2C)C)C
InChI
InChI=1S/C17H22N2O5S/c1-5-6-7-18-17(21)19-25(22,23)16-12(4)8-10(2)14-11(3)9-13(20)24-15(14)16/h8-9H,5-7H2,1-4H3,(H2,18,19,21)
InChIKey
DKBTUMCACVBKHI-UHFFFAOYSA-N
Compound name
1-butyl-3-(4,5,7-trimethyl-2-oxochromen-8-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12494 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13222 183.6
[M+Na]+ 389.11416 191.9
[M-H]- 365.11766 189.2
[M+NH4]+ 384.15876 196.3
[M+K]+ 405.08810 189.1
[M+H-H2O]+ 349.12220 176.4
[M+HCOO]- 411.12314 200.1
[M+CH3COO]- 425.13879 220.6
[M+Na-2H]- 387.09961 187.0
[M]+ 366.12439 191.3
[M]- 366.12549 191.3
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.