CID 18707

Brn 0899120

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1OC3=CC=C(C=C3)OCC
InChI
InChI=1S/C21H27N3O2/c1-4-23(5-2)15-16-24-20-10-8-7-9-19(20)22-21(24)26-18-13-11-17(12-14-18)25-6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKey
CKMCJEWCPZECIB-UHFFFAOYSA-N
Compound name
2-[2-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 187.3
[M+Na]+ 376.19955 194.7
[M-H]- 352.20305 193.5
[M+NH4]+ 371.24415 200.8
[M+K]+ 392.17349 190.5
[M+H-H2O]+ 336.20759 176.7
[M+HCOO]- 398.20853 210.4
[M+CH3COO]- 412.22418 221.0
[M+Na-2H]- 374.18500 190.4
[M]+ 353.20978 195.1
[M]- 353.21088 195.1
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.