CID 59451

102516-96-1

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC(=CC=C3)OC
InChI
InChI=1S/C21H27N3O/c1-4-23(5-2)13-14-24-20-12-7-6-11-19(20)22-21(24)16-17-9-8-10-18(15-17)25-3/h6-12,15H,4-5,13-14,16H2,1-3H3
InChIKey
DKGPIAALXIUMNA-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 183.7
[M+Na]+ 360.20464 198.1
[M+NH4]+ 355.24924 191.6
[M+K]+ 376.17858 190.8
[M-H]- 336.20814 188.5
[M+Na-2H]- 358.19009 191.8
[M]+ 337.21487 187.2
[M]- 337.21597 187.2
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.