CID 367782

Nsc637723

Structural Information

Molecular Formula
C20H14N4O4S
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
InChI
InChI=1S/C20H14N4O4S/c25-18-12-17(15-4-1-2-5-16(15)19(18)26)23-13-6-8-14(9-7-13)29(27,28)24-20-21-10-3-11-22-20/h1-12,23H,(H,21,22,24)
InChIKey
GUYVGEWCKMLWDM-UHFFFAOYSA-N
Compound name
4-[(3,4-dioxonaphthalen-1-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.07358 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.08086 191.9
[M+Na]+ 429.06280 200.1
[M-H]- 405.06630 199.9
[M+NH4]+ 424.10740 199.9
[M+K]+ 445.03674 193.4
[M+H-H2O]+ 389.07084 181.3
[M+HCOO]- 451.07178 207.9
[M+CH3COO]- 465.08743 200.9
[M+Na-2H]- 427.04825 199.4
[M]+ 406.07303 193.3
[M]- 406.07413 193.3
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.