CID 165944376

2-{4-[2-(3-methoxyphenyl)ethynyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C18H17N3O
SMILES
COC1=CC=CC(=C1)C#CC2=C3C(=CC=C2)NC(=N3)CCN
InChI
InChI=1S/C18H17N3O/c1-22-15-6-2-4-13(12-15)8-9-14-5-3-7-16-18(14)21-17(20-16)10-11-19/h2-7,12H,10-11,19H2,1H3,(H,20,21)
InChIKey
SIDJXNUCPHLSEL-UHFFFAOYSA-N
Compound name
2-[4-[2-(3-methoxyphenyl)ethynyl]-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 173.2
[M+Na]+ 314.12640 184.4
[M-H]- 290.12990 173.7
[M+NH4]+ 309.17100 185.7
[M+K]+ 330.10034 174.8
[M+H-H2O]+ 274.13444 157.9
[M+HCOO]- 336.13538 188.4
[M+CH3COO]- 350.15103 181.8
[M+Na-2H]- 312.11185 175.3
[M]+ 291.13663 167.7
[M]- 291.13773 167.7
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.