CID 28316498

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

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCCCN1C2=CC3=C(C=C2N=C1CCN)OCCO3
InChI
InChI=1S/C15H21N3O2/c1-2-3-6-18-12-10-14-13(19-7-8-20-14)9-11(12)17-15(18)4-5-16/h9-10H,2-8,16H2,1H3
InChIKey
IQUFMYJNHUSUBU-UHFFFAOYSA-N
Compound name
2-(3-butyl-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

0
Patents

275.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 165.0
[M+Na]+ 298.15262 177.7
[M+NH4]+ 293.19722 172.7
[M+K]+ 314.12656 173.0
[M-H]- 274.15612 169.6
[M+Na-2H]- 296.13807 167.7
[M]+ 275.16285 168.1
[M]- 275.16395 168.1
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.