CID 165987174

2-{6-[2-(1,3-oxazol-2-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
C16H18N4O3
SMILES
C1COC2=C(O1)C=C3C(=C2)N(C(=N3)CCN)CCC4=NC=CO4
InChI
InChI=1S/C16H18N4O3/c17-3-1-15-19-11-9-13-14(22-8-7-21-13)10-12(11)20(15)5-2-16-18-4-6-23-16/h4,6,9-10H,1-3,5,7-8,17H2
InChIKey
KVUHPCFXONTLNM-UHFFFAOYSA-N
Compound name
2-[3-[2-(1,3-oxazol-2-yl)ethyl]-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

314.13788 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14516 172.0
[M+Na]+ 337.12710 185.2
[M+NH4]+ 332.17170 178.9
[M+K]+ 353.10104 183.5
[M-H]- 313.13060 178.5
[M+Na-2H]- 335.11255 175.2
[M]+ 314.13733 175.7
[M]- 314.13843 175.7
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.