CID 4159150

4-methyl-n,n-bis-(2-(2-nitro-phenoxy)-ethyl)-benzenesulfonamide

Structural Information

Molecular Formula
C23H23N3O8S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=CC=CC=C2[N+](=O)[O-])CCOC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C23H23N3O8S/c1-18-10-12-19(13-11-18)35(31,32)24(14-16-33-22-8-4-2-6-20(22)25(27)28)15-17-34-23-9-5-3-7-21(23)26(29)30/h2-13H,14-17H2,1H3
InChIKey
POCCPMRPDRPSHZ-UHFFFAOYSA-N
Compound name
4-methyl-N,N-bis[2-(2-nitrophenoxy)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.12057 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.12785 216.8
[M+Na]+ 524.10979 216.3
[M-H]- 500.11329 225.9
[M+NH4]+ 519.15439 220.1
[M+K]+ 540.08373 205.3
[M+H-H2O]+ 484.11783 213.3
[M+HCOO]- 546.11877 235.2
[M+CH3COO]- 560.13442 229.3
[M+Na-2H]- 522.09524 224.1
[M]+ 501.12002 218.2
[M]- 501.12112 218.2
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.