CID 63637874

2-[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]acetamide dihydrochloride

Structural Information

Molecular Formula
C11H14N4O
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)N)CCN
InChI
InChI=1S/C11H14N4O/c12-6-5-11-14-8-3-1-2-4-9(8)15(11)7-10(13)16/h1-4H,5-7,12H2,(H2,13,16)
InChIKey
UUOYOTREHUHNPH-UHFFFAOYSA-N
Compound name
2-[2-(2-aminoethyl)benzimidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.11676 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 147.2
[M+Na]+ 241.10598 156.2
[M-H]- 217.10948 148.9
[M+NH4]+ 236.15058 165.1
[M+K]+ 257.07992 152.4
[M+H-H2O]+ 201.11402 139.4
[M+HCOO]- 263.11496 170.9
[M+CH3COO]- 277.13061 192.8
[M+Na-2H]- 239.09143 152.3
[M]+ 218.11621 147.3
[M]- 218.11731 147.3
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.