CID 28316546

2-{6-[2-(piperidin-1-yl)ethyl]-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C18H26N4O2
SMILES
C1CCN(CC1)CCN2C3=CC4=C(C=C3N=C2CCN)OCCO4
InChI
InChI=1S/C18H26N4O2/c19-5-4-18-20-14-12-16-17(24-11-10-23-16)13-15(14)22(18)9-8-21-6-2-1-3-7-21/h12-13H,1-11,19H2
InChIKey
WGBBQCNTKNPVBI-UHFFFAOYSA-N
Compound name
2-[3-(2-piperidin-1-ylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.20557 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 179.5
[M+Na]+ 353.19479 184.9
[M-H]- 329.19829 183.3
[M+NH4]+ 348.23939 189.5
[M+K]+ 369.16873 181.5
[M+H-H2O]+ 313.20283 168.8
[M+HCOO]- 375.20377 191.7
[M+CH3COO]- 389.21942 187.9
[M+Na-2H]- 351.18024 182.2
[M]+ 330.20502 177.4
[M]- 330.20612 177.4
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.