CID 28316660

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

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CN(C)CCN1C2=CC3=C(C=C2N=C1CN)OCCO3
InChI
InChI=1S/C14H20N4O2/c1-17(2)3-4-18-11-8-13-12(19-5-6-20-13)7-10(11)16-14(18)9-15/h7-8H,3-6,9,15H2,1-2H3
InChIKey
HEZBYQNIZLZOGY-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.165906 165.1
[M+Na]+ 299.147848 173.3
[M-H]- 275.151354 170.1
[M+NH4]+ 294.192453 179.9
[M+K]+ 315.121788 172.4
[M+H-H2O]+ 259.155890 156.6
[M+HCOO]- 321.156831 184.6
[M+CH3COO]- 335.172481 176.8
[M+Na-2H]- 297.133296 171.1
[M]+ 276.15808142 168.7
[M]- 276.15917858 168.7
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.