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]+ 431.21114 205.4
[M+Na]+ 453.19308 213.1
[M-H]- 429.19658 212.2
[M+NH4]+ 448.23768 216.3
[M+K]+ 469.16702 208.2
[M+H-H2O]+ 413.20112 195.9
[M+HCOO]- 475.20206 223.1
[M+CH3COO]- 489.21771 234.8
[M+Na-2H]- 451.17853 207.3
[M]+ 430.20331 215.1
[M]- 430.20441 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.