CID 28303841

1-{1-[2-(morpholin-4-yl)ethyl]-1h-1,3-benzodiazol-2-yl}methanamine trihydrochloride

Structural Information

Molecular Formula
C14H20N4O
SMILES
C1COCCN1CCN2C3=CC=CC=C3N=C2CN
InChI
InChI=1S/C14H20N4O/c15-11-14-16-12-3-1-2-4-13(12)18(14)6-5-17-7-9-19-10-8-17/h1-4H,5-11,15H2
InChIKey
LNRICCUWWFODHA-UHFFFAOYSA-N
Compound name
[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1637 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.170976 160.2
[M+Na]+ 283.152918 167.2
[M-H]- 259.156424 163.4
[M+NH4]+ 278.197523 173.7
[M+K]+ 299.126858 163.6
[M+H-H2O]+ 243.160960 150.3
[M+HCOO]- 305.161901 178.0
[M+CH3COO]- 319.177551 170.8
[M+Na-2H]- 281.138366 164.9
[M]+ 260.16315142 158.6
[M]- 260.16424858 158.6
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.