CID 206669

Nc 3539

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC1=NN=C2N1C=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C13H13N3O2/c1-8-14-15-13-10-7-12(18-3)11(17-2)6-9(10)4-5-16(8)13/h4-7H,1-3H3
InChIKey
FVSUDTLZWVZJBF-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-3-methyl-[1,2,4]triazolo[3,4-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

243.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.108046 153.7
[M+Na]+ 266.089988 166.7
[M-H]- 242.093494 156.6
[M+NH4]+ 261.134593 171.9
[M+K]+ 282.063928 162.7
[M+H-H2O]+ 226.098030 145.5
[M+HCOO]- 288.098971 175.1
[M+CH3COO]- 302.114621 167.2
[M+Na-2H]- 264.075436 161.1
[M]+ 243.10022142 160.6
[M]- 243.10131858 160.6
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