CID 9555882

Nsc647122

Structural Information

Molecular Formula
C24H17Cl2N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]
InChI
InChI=1S/C24H17Cl2N3O5S/c1-15-10-12-16(13-11-15)35(32,33)28-27-14-21-23(29(30)31)22(17-6-2-4-8-19(17)25)24(34-21)18-7-3-5-9-20(18)26/h2-14,28H,1H3/b27-14+
InChIKey
CQDNVKPMJNYADB-MZJWZYIUSA-N
Compound name
N-[(E)-[4,5-bis(2-chlorophenyl)-3-nitrofuran-2-yl]methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.0266 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.03388 229.3
[M+Na]+ 552.01582 235.9
[M-H]- 528.01932 243.6
[M+NH4]+ 547.06042 235.7
[M+K]+ 567.98976 226.1
[M+H-H2O]+ 512.02386 224.9
[M+HCOO]- 574.02480 241.2
[M+CH3COO]- 588.04045 238.8
[M+Na-2H]- 550.00127 231.8
[M]+ 529.02605 236.1
[M]- 529.02715 236.1
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.