CID 165765014

4,7-dioxa-11,16-diazatetracyclo[8.6.0.0^{3,8}.0^{11,15}]hexadeca-1,3(8),9,15-tetraen-13-amine dihydrochloride

Structural Information

Molecular Formula
C12H13N3O2
SMILES
C1COC2=C(O1)C=C3C(=C2)N4CC(CC4=N3)N
InChI
InChI=1S/C12H13N3O2/c13-7-3-12-14-8-4-10-11(17-2-1-16-10)5-9(8)15(12)6-7/h4-5,7H,1-3,6,13H2
InChIKey
VHIOTEMMVDAWBU-UHFFFAOYSA-N
Compound name
4,7-dioxa-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,15-tetraen-13-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.108046 146.2
[M+Na]+ 254.089988 156.3
[M-H]- 230.093494 151.3
[M+NH4]+ 249.134593 165.2
[M+K]+ 270.063928 154.4
[M+H-H2O]+ 214.098030 139.9
[M+HCOO]- 276.098971 164.2
[M+CH3COO]- 290.114621 159.3
[M+Na-2H]- 252.075436 152.3
[M]+ 231.10022142 147.0
[M]- 231.10131858 147.0
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.