CID 561815

58809-90-8

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=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
InChIKey
OOOLPNHDHGDYPS-UHFFFAOYSA-N
Compound name
4-methyl-N-[(2-nitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe