CID 138039511

2167346-67-8

Structural Information

Molecular Formula
C12H17N3O
SMILES
COC1CC2CNCC3=C(N2C1)N=CC=C3
InChI
InChI=1S/C12H17N3O/c1-16-11-5-10-7-13-6-9-3-2-4-14-12(9)15(10)8-11/h2-4,10-11,13H,5-8H2,1H3
InChIKey
WPKSFHANAPZGTQ-UHFFFAOYSA-N
Compound name
4-methoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 148.3
[M+Na]+ 242.126378 154.7
[M-H]- 218.129884 149.3
[M+NH4]+ 237.170983 164.9
[M+K]+ 258.100318 153.6
[M+H-H2O]+ 202.134420 139.8
[M+HCOO]- 264.135361 162.5
[M+CH3COO]- 278.151011 158.6
[M+Na-2H]- 240.111826 152.8
[M]+ 219.13661142 142.4
[M]- 219.13770858 142.4
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.