CID 538439

10228-31-6

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N(C)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O5S/c1-11-4-7-14(8-5-11)25(23,24)17-15-9-6-13(18(3)12(2)20)10-16(15)19(21)22/h4-10,17H,1-3H3
InChIKey
COIZBYPZNBZLPW-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.096176 178.8
[M+Na]+ 386.078118 183.6
[M-H]- 362.081624 186.9
[M+NH4]+ 381.122723 190.3
[M+K]+ 402.052058 176.8
[M+H-H2O]+ 346.086160 174.6
[M+HCOO]- 408.087101 198.9
[M+CH3COO]- 422.102751 213.6
[M+Na-2H]- 384.063566 183.8
[M]+ 363.08835142 180.4
[M]- 363.08944858 180.4
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

No patent data available for this compound.