CID 165918349

2-{6-[(morpholin-4-yl)methyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C14H20N4O
SMILES
C1COCCN1CC2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C14H20N4O/c15-4-3-14-16-12-2-1-11(9-13(12)17-14)10-18-5-7-19-8-6-18/h1-2,9H,3-8,10,15H2,(H,16,17)
InChIKey
OGVCPWVCNLFJAK-UHFFFAOYSA-N
Compound name
2-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1637 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 160.2
[M+Na]+ 283.15292 166.8
[M-H]- 259.15642 162.1
[M+NH4]+ 278.19752 173.0
[M+K]+ 299.12686 162.3
[M+H-H2O]+ 243.16096 150.7
[M+HCOO]- 305.16190 176.5
[M+CH3COO]- 319.17755 170.1
[M+Na-2H]- 281.13837 164.6
[M]+ 260.16315 156.9
[M]- 260.16425 156.9
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.