CID 27294

Brn 0946155

Structural Information

Molecular Formula
C22H30N4O3S
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)N=C1NC3=CC=C(C=C3)OCC
InChI
InChI=1S/C22H30N4O3S/c1-5-25(6-2)14-15-26-21-13-12-19(30(4,27)28)16-20(21)24-22(26)23-17-8-10-18(11-9-17)29-7-3/h8-13,16H,5-7,14-15H2,1-4H3,(H,23,24)
InChIKey
DXZJIJFYRSOFHS-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-N-(4-ethoxyphenyl)-5-methylsulfonylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20386 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.211136 205.4
[M+Na]+ 453.193078 213.1
[M-H]- 429.196584 212.2
[M+NH4]+ 448.237683 216.3
[M+K]+ 469.167018 208.2
[M+H-H2O]+ 413.201120 195.9
[M+HCOO]- 475.202061 223.1
[M+CH3COO]- 489.217711 234.8
[M+Na-2H]- 451.178526 207.3
[M]+ 430.20331142 215.1
[M]- 430.20440858 215.1
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

No patent data available for this compound.