CID 496556

Nsc693806

Structural Information

Molecular Formula
C15H15N3O4S
SMILES
CC1=C(OC(=C1S(=O)(=O)C2=CC3=CC=CC=C3N(C2=N)O)N)C
InChI
InChI=1S/C15H15N3O4S/c1-8-9(2)22-15(17)13(8)23(20,21)12-7-10-5-3-4-6-11(10)18(19)14(12)16/h3-7,16,19H,17H2,1-2H3
InChIKey
HBJFCQIOKAHSEC-UHFFFAOYSA-N
Compound name
3-(1-hydroxy-2-iminoquinolin-3-yl)sulfonyl-4,5-dimethylfuran-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08562 175.4
[M+Na]+ 356.06756 187.8
[M-H]- 332.07106 183.0
[M+NH4]+ 351.11216 189.3
[M+K]+ 372.04150 183.0
[M+H-H2O]+ 316.07560 169.0
[M+HCOO]- 378.07654 193.6
[M+CH3COO]- 392.09219 210.4
[M+Na-2H]- 354.05301 179.2
[M]+ 333.07779 180.6
[M]- 333.07889 180.6
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.