CID 98780693

2-{1-[2-(3-methoxyphenyl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine

Structural Information

Molecular Formula
C18H21N3O
SMILES
COC1=CC=CC(=C1)CCN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C18H21N3O/c1-22-15-6-4-5-14(13-15)10-12-21-17-8-3-2-7-16(17)20-18(21)9-11-19/h2-8,13H,9-12,19H2,1H3
InChIKey
MFNUWIGNIUVXLS-UHFFFAOYSA-N
Compound name
2-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.175736 170.3
[M+Na]+ 318.157678 179.3
[M-H]- 294.161184 175.2
[M+NH4]+ 313.202283 185.5
[M+K]+ 334.131618 173.4
[M+H-H2O]+ 278.165720 160.8
[M+HCOO]- 340.166661 193.3
[M+CH3COO]- 354.182311 181.8
[M+Na-2H]- 316.143126 174.8
[M]+ 295.16791142 173.6
[M]- 295.16900858 173.6
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

patents stripe