CID 6410718

Brn 5982720

Structural Information

Molecular Formula
C16H15N5O
SMILES
CC1=CC(=NN1C2=C3C(=CN=N2)C4=C(N3)C=CC(=C4)OC)C
InChI
InChI=1S/C16H15N5O/c1-9-6-10(2)21(20-9)16-15-13(8-17-19-16)12-7-11(22-3)4-5-14(12)18-15/h4-8,18H,1-3H3
InChIKey
RGWLZBMRIVYNHV-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)-8-methoxy-5H-pyridazino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13494 168.0
[M+Na]+ 316.11688 184.9
[M+NH4]+ 311.16148 175.2
[M+K]+ 332.09082 181.2
[M-H]- 292.12038 170.2
[M+Na-2H]- 314.10233 175.2
[M]+ 293.12711 171.1
[M]- 293.12821 171.1
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.