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]+ 261.170976 160.2
[M+Na]+ 283.152918 166.8
[M-H]- 259.156424 162.1
[M+NH4]+ 278.197523 173.0
[M+K]+ 299.126858 162.3
[M+H-H2O]+ 243.160960 150.7
[M+HCOO]- 305.161901 176.5
[M+CH3COO]- 319.177551 170.1
[M+Na-2H]- 281.138366 164.6
[M]+ 260.16315142 156.9
[M]- 260.16424858 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.