CID 271019

Nsc114403

Structural Information

Molecular Formula
C18H20N6O5S
SMILES
CC1=COC(=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(C(=O)N(C3=O)C)C)N
InChI
InChI=1S/C18H20N6O5S/c1-10-9-29-16(11(10)2)22-30(27,28)13-7-5-12(6-8-13)20-21-14-15(19)23(3)18(26)24(4)17(14)25/h5-9,22H,19H2,1-4H3
InChIKey
UJEUKOLHGLHCGX-UHFFFAOYSA-N
Compound name
4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-N-(3,4-dimethylfuran-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.12158 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12886 204.7
[M+Na]+ 455.11080 215.8
[M-H]- 431.11430 217.2
[M+NH4]+ 450.15540 213.2
[M+K]+ 471.08474 212.1
[M+H-H2O]+ 415.11884 194.8
[M+HCOO]- 477.11978 227.3
[M+CH3COO]- 491.13543 241.0
[M+Na-2H]- 453.09625 206.7
[M]+ 432.12103 212.7
[M]- 432.12213 212.7
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.