CID 28316550

2-{6-[2-(morpholin-4-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
C17H24N4O3
SMILES
C1COCCN1CCN2C3=CC4=C(C=C3N=C2CCN)OCCO4
InChI
InChI=1S/C17H24N4O3/c18-2-1-17-19-13-11-15-16(24-10-9-23-15)12-14(13)21(17)4-3-20-5-7-22-8-6-20/h11-12H,1-10,18H2
InChIKey
PPWBNOSDQAXUME-UHFFFAOYSA-N
Compound name
2-[3-(2-morpholin-4-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

6
Patents

332.18484 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.192116 179.3
[M+Na]+ 355.174058 185.3
[M-H]- 331.177564 184.0
[M+NH4]+ 350.218663 187.8
[M+K]+ 371.147998 183.6
[M+H-H2O]+ 315.182100 169.0
[M+HCOO]- 377.183041 191.1
[M+CH3COO]- 391.198691 188.0
[M+Na-2H]- 353.159506 182.9
[M]+ 332.18429142 179.0
[M]- 332.18538858 179.0
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.