CID 3054813

71795-28-3

Structural Information

Molecular Formula
C20H26N4O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)NCC(OC)OC
InChI
InChI=1S/C20H26N4O5S/c1-15(25)23-17-9-11-18(12-10-17)30(26,27)24-20(22-14-19(28-2)29-3)21-13-16-7-5-4-6-8-16/h4-12,19H,13-14H2,1-3H3,(H,23,25)(H2,21,22,24)
InChIKey
ISNKCWYBSZGBOZ-UHFFFAOYSA-N
Compound name
N-[4-[[N'-benzyl-N-(2,2-dimethoxyethyl)carbamimidoyl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.16238 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16966 199.7
[M+Na]+ 457.15160 205.5
[M+NH4]+ 452.19620 203.0
[M+K]+ 473.12554 200.3
[M-H]- 433.15510 202.2
[M+Na-2H]- 455.13705 205.1
[M]+ 434.16183 201.0
[M]- 434.16293 201.0
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.