CID 108447

60376-73-0

Structural Information

Molecular Formula
C17H17N3O7S
SMILES
CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C17H17N3O7S/c1-19(2)11-18-28(24,25)15-10-12(17(21)26-3)9-14(20(22)23)16(15)27-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKey
YPJZKQJKYXBDDW-UHFFFAOYSA-N
Compound name
methyl 3-(dimethylaminomethylideneamino)sulfonyl-5-nitro-4-phenoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

407.07874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08602 185.7
[M+Na]+ 430.06796 195.8
[M+NH4]+ 425.11256 189.9
[M+K]+ 446.04190 193.2
[M-H]- 406.07146 189.1
[M+Na-2H]- 428.05341 191.9
[M]+ 407.07819 188.1
[M]- 407.07929 188.1
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