CID 16078350

Chembl193593

Structural Information

Molecular Formula
C18H16N4O4S
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C18H16N4O4S/c1-11-2-7-16-15(8-11)17(23)12(10-26-16)9-21-13-3-5-14(6-4-13)27(24,25)22-18(19)20/h2-10H,1H3,(H4,19,20,22)
InChIKey
YFKZMMQAYPXJAI-UHFFFAOYSA-N
Compound name
2-[4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.08923 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09651 188.6
[M+Na]+ 407.07845 196.7
[M-H]- 383.08195 198.8
[M+NH4]+ 402.12305 199.8
[M+K]+ 423.05239 193.1
[M+H-H2O]+ 367.08649 179.2
[M+HCOO]- 429.08743 209.8
[M+CH3COO]- 443.10308 229.6
[M+Na-2H]- 405.06390 194.5
[M]+ 384.08868 191.8
[M]- 384.08978 191.8
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

No patent data available for this compound.