CID 165948119

3-{2-[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]ethyl}benzamide dihydrochloride

Structural Information

Molecular Formula
C18H20N4O
SMILES
C1=CC=C2C(=C1)N=C(N2CCC3=CC(=CC=C3)C(=O)N)CCN
InChI
InChI=1S/C18H20N4O/c19-10-8-17-21-15-6-1-2-7-16(15)22(17)11-9-13-4-3-5-14(12-13)18(20)23/h1-7,12H,8-11,19H2,(H2,20,23)
InChIKey
JBWYYGNZCVOBQM-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.170976 172.9
[M+Na]+ 331.152918 181.0
[M-H]- 307.156424 177.6
[M+NH4]+ 326.197523 186.9
[M+K]+ 347.126858 174.9
[M+H-H2O]+ 291.160960 163.5
[M+HCOO]- 353.161901 195.6
[M+CH3COO]- 367.177551 183.6
[M+Na-2H]- 329.138366 176.1
[M]+ 308.16315142 173.4
[M]- 308.16424858 173.4
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.