CID 129901814

10-methoxy-1,5,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),9,12-hexaene

Structural Information

Molecular Formula
C13H11N3O
SMILES
COC1=CC2=C3C4C1N=CN4C=CC3=NC=C2
InChI
InChI=1S/C13H11N3O/c1-17-10-6-8-2-4-14-9-3-5-16-7-15-12(10)13(16)11(8)9/h2-7,12-13H,1H3
InChIKey
DBVCZXKFSYUNTC-UHFFFAOYSA-N
Compound name
10-methoxy-1,5,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),9,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 149.0
[M+Na]+ 248.07943 159.2
[M-H]- 224.08293 150.2
[M+NH4]+ 243.12403 168.6
[M+K]+ 264.05337 154.7
[M+H-H2O]+ 208.08747 140.2
[M+HCOO]- 270.08841 165.8
[M+CH3COO]- 284.10406 161.2
[M+Na-2H]- 246.06488 157.6
[M]+ 225.08966 152.2
[M]- 225.09076 152.2
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.