CID 9571572

Nsc683747

Structural Information

Molecular Formula
C18H16N4O4S
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)S(=O)(=O)N/N=C/C3=CC=CC=C3)/NC1=O
InChI
InChI=1S/C18H16N4O4S/c1-22-17(23)16(20-18(22)24)11-13-7-9-15(10-8-13)27(25,26)21-19-12-14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,24)/b16-11-,19-12+
InChIKey
CHXSPISSSOQPOX-XRWSEXJESA-N
Compound name
N-[(E)-benzylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08923 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09651 189.7
[M+Na]+ 407.07845 197.2
[M-H]- 383.08195 197.3
[M+NH4]+ 402.12305 199.9
[M+K]+ 423.05239 190.5
[M+H-H2O]+ 367.08649 180.7
[M+HCOO]- 429.08743 206.6
[M+CH3COO]- 443.10308 217.5
[M+Na-2H]- 405.06390 190.8
[M]+ 384.08868 189.7
[M]- 384.08978 189.7
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.