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 191.9
[M+Na]+ 414.14582 195.0
[M-H]- 390.14932 198.8
[M+NH4]+ 409.19042 202.7
[M+K]+ 430.11976 191.9
[M+H-H2O]+ 374.15386 182.2
[M+HCOO]- 436.15480 211.4
[M+CH3COO]- 450.17045 225.4
[M+Na-2H]- 412.13127 195.1
[M]+ 391.15605 196.2
[M]- 391.15715 196.2
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.