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

0
Patents

295.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 170.3
[M+Na]+ 318.15768 179.3
[M-H]- 294.16118 175.2
[M+NH4]+ 313.20228 185.5
[M+K]+ 334.13162 173.4
[M+H-H2O]+ 278.16572 160.8
[M+HCOO]- 340.16666 193.3
[M+CH3COO]- 354.18231 181.8
[M+Na-2H]- 316.14313 174.8
[M]+ 295.16791 173.6
[M]- 295.16901 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

No patent data available for this compound.