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]+ 364.09618 178.8
[M+Na]+ 386.07812 183.6
[M-H]- 362.08162 186.9
[M+NH4]+ 381.12272 190.3
[M+K]+ 402.05206 176.8
[M+H-H2O]+ 346.08616 174.6
[M+HCOO]- 408.08710 198.9
[M+CH3COO]- 422.10275 213.6
[M+Na-2H]- 384.06357 183.8
[M]+ 363.08835 180.4
[M]- 363.08945 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.