CID 135484773

Nsc624346

Structural Information

Molecular Formula
C17H16N3O3
SMILES
COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)O)N=N3)OC
InChI
InChI=1S/C17H15N3O3/c1-22-15-7-10-5-6-20-17(12(10)9-16(15)23-2)13-8-11(21)3-4-14(13)18-19-20/h3-4,7-9H,5-6H2,1-2H3/p+1
InChIKey
GNXVEFSCIZUUCX-UHFFFAOYSA-O
Compound name
11,12-dimethoxy-8,9-dihydroisoquinolino[2,1-c][1,2,3]benzotriazin-7-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12645 174.3
[M+Na]+ 333.10839 184.2
[M-H]- 309.11189 175.9
[M+NH4]+ 328.15299 187.1
[M+K]+ 349.08233 173.4
[M+H-H2O]+ 293.11643 166.6
[M+HCOO]- 355.11737 188.2
[M+CH3COO]- 369.13302 200.0
[M+Na-2H]- 331.09384 184.7
[M]+ 310.11862 176.0
[M]- 310.11972 176.0
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.