CID 381406

Nsc667951

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.0674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 165.2
[M+Na]+ 329.05662 172.2
[M-H]- 305.06012 172.5
[M+NH4]+ 324.10122 179.2
[M+K]+ 345.03056 163.8
[M+H-H2O]+ 289.06466 162.0
[M+HCOO]- 351.06560 185.3
[M+CH3COO]- 365.08125 198.0
[M+Na-2H]- 327.04207 171.6
[M]+ 306.06685 165.8
[M]- 306.06795 165.8
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

No patent data available for this compound.