CID 16078351

Chembl197031

Structural Information

Molecular Formula
C19H18N2O4S
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C19H18N2O4S/c1-13-2-7-18-17(10-13)19(22)15(12-25-18)11-21-9-8-14-3-5-16(6-4-14)26(20,23)24/h2-7,10-12H,8-9H2,1H3,(H2,20,23,24)
InChIKey
BGXHDIGHXCGJJR-UHFFFAOYSA-N
Compound name
4-[2-[(6-methyl-4-oxochromen-3-yl)methylideneamino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

370.09872 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10600 185.8
[M+Na]+ 393.08794 195.1
[M-H]- 369.09144 195.3
[M+NH4]+ 388.13254 198.2
[M+K]+ 409.06188 190.7
[M+H-H2O]+ 353.09598 177.1
[M+HCOO]- 415.09692 205.0
[M+CH3COO]- 429.11257 220.5
[M+Na-2H]- 391.07339 191.4
[M]+ 370.09817 191.3
[M]- 370.09927 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

literature stripe

Patent stripe

patents stripe