CID 4291599

N-(2-((2-hydroxy-5-nitro-benzylidene)-amino)-phenyl)-4-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C20H17N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H17N3O5S/c1-14-6-9-17(10-7-14)29(27,28)22-19-5-3-2-4-18(19)21-13-15-12-16(23(25)26)8-11-20(15)24/h2-13,22,24H,1H3
InChIKey
PBJXQBWHPFNLPH-UHFFFAOYSA-N
Compound name
N-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0889 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09618 192.5
[M+Na]+ 434.07812 197.4
[M-H]- 410.08162 202.1
[M+NH4]+ 429.12272 201.0
[M+K]+ 450.05206 187.6
[M+H-H2O]+ 394.08616 186.7
[M+HCOO]- 456.08710 212.9
[M+CH3COO]- 470.10275 219.0
[M+Na-2H]- 432.06357 199.2
[M]+ 411.08835 192.5
[M]- 411.08945 192.5
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.