CID 9571576

Nsc683751

Structural Information

Molecular Formula
C17H13ClN4O4S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=O)N2)S(=O)(=O)N/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN4O4S/c18-13-5-1-12(2-6-13)10-19-22-27(25,26)14-7-3-11(4-8-14)9-15-16(23)21-17(24)20-15/h1-10,22H,(H2,20,21,23,24)/b15-9-,19-10+
InChIKey
BYTNCHBYAHBYQA-SUQUQSPJSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04188 192.7
[M+Na]+ 427.02382 200.8
[M-H]- 403.02732 199.1
[M+NH4]+ 422.06842 202.4
[M+K]+ 442.99776 192.3
[M+H-H2O]+ 387.03186 184.8
[M+HCOO]- 449.03280 203.9
[M+CH3COO]- 463.04845 215.9
[M+Na-2H]- 425.00927 193.5
[M]+ 404.03405 192.8
[M]- 404.03515 192.8
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.