CID 3054812

71795-27-2

Structural Information

Molecular Formula
C19H25N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)NCC(OC)OC
InChI
InChI=1S/C19H25N3O4S/c1-15-9-11-17(12-10-15)27(23,24)22-19(21-14-18(25-2)26-3)20-13-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H2,20,21,22)
InChIKey
CARQZCQGUHIDNR-UHFFFAOYSA-N
Compound name
2-benzyl-1-(2,2-dimethoxyethyl)-3-(4-methylphenyl)sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1566 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16388 191.2
[M+Na]+ 414.14582 199.5
[M+NH4]+ 409.19042 196.4
[M+K]+ 430.11976 192.6
[M-H]- 390.14932 194.6
[M+Na-2H]- 412.13127 197.8
[M]+ 391.15605 193.5
[M]- 391.15715 193.5
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.