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]+ 354.217606 187.3
[M+Na]+ 376.199548 194.7
[M-H]- 352.203054 193.5
[M+NH4]+ 371.244153 200.8
[M+K]+ 392.173488 190.5
[M+H-H2O]+ 336.207590 176.7
[M+HCOO]- 398.208531 210.4
[M+CH3COO]- 412.224181 221.0
[M+Na-2H]- 374.184996 190.4
[M]+ 353.20978142 195.1
[M]- 353.21087858 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.