CID 5335166

2-nitrobenzaldehyde tosylhydrazone

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O4S/c1-11-6-8-13(9-7-11)22(20,21)16-15-10-12-4-2-3-5-14(12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKey
OOOLPNHDHGDYPS-XNTDXEJSSA-N
Compound name
4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

319.06268 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 168.1
[M+Na]+ 342.05190 174.0
[M-H]- 318.05540 176.1
[M+NH4]+ 337.09650 181.4
[M+K]+ 358.02584 165.6
[M+H-H2O]+ 302.05994 163.9
[M+HCOO]- 364.06088 190.8
[M+CH3COO]- 378.07653 202.8
[M+Na-2H]- 340.03735 176.1
[M]+ 319.06213 168.4
[M]- 319.06323 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe