CID 215337

35515-48-1

Structural Information

Molecular Formula
C12H13N3O2
SMILES
COC1=C(C=C2C(=C1)CCN3C2=NN=C3)OC
InChI
InChI=1S/C12H13N3O2/c1-16-10-5-8-3-4-15-7-13-14-12(15)9(8)6-11(10)17-2/h5-7H,3-4H2,1-2H3
InChIKey
OMHHCEOQISUAHU-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.7
[M+Na]+ 254.08999 161.1
[M-H]- 230.09349 152.5
[M+NH4]+ 249.13459 168.8
[M+K]+ 270.06393 157.8
[M+H-H2O]+ 214.09803 142.3
[M+HCOO]- 276.09897 169.6
[M+CH3COO]- 290.11462 163.2
[M+Na-2H]- 252.07544 157.3
[M]+ 231.10022 154.0
[M]- 231.10132 154.0
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

patents stripe