CID 257978

N-methyl-2'-nitro-p-toluenesulfonanilide

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O4S/c1-11-7-9-12(10-8-11)21(19,20)15(2)13-5-3-4-6-14(13)16(17)18/h3-10H,1-2H3
InChIKey
HCEKZXBXGWJIFU-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-(2-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

306.0674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 165.4
[M+Na]+ 329.05662 171.7
[M-H]- 305.06012 173.7
[M+NH4]+ 324.10122 179.7
[M+K]+ 345.03056 164.7
[M+H-H2O]+ 289.06466 161.9
[M+HCOO]- 351.06560 186.0
[M+CH3COO]- 365.08125 200.2
[M+Na-2H]- 327.04207 171.7
[M]+ 306.06685 166.8
[M]- 306.06795 166.8
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

patents stripe