CID 165940946

2-{5-[2-(2-methoxyethoxy)phenyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C18H21N3O2
SMILES
COCCOC1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C18H21N3O2/c1-22-10-11-23-17-5-3-2-4-14(17)13-6-7-15-16(12-13)21-18(20-15)8-9-19/h2-7,12H,8-11,19H2,1H3,(H,20,21)
InChIKey
ZMNMUPVOOMLKNZ-UHFFFAOYSA-N
Compound name
2-[6-[2-(2-methoxyethoxy)phenyl]-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 172.8
[M+Na]+ 334.15262 181.2
[M-H]- 310.15612 176.5
[M+NH4]+ 329.19722 186.6
[M+K]+ 350.12656 175.2
[M+H-H2O]+ 294.16066 163.6
[M+HCOO]- 356.16160 194.5
[M+CH3COO]- 370.17725 183.5
[M+Na-2H]- 332.13807 177.2
[M]+ 311.16285 175.8
[M]- 311.16395 175.8
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.