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 169.5
[M+Na]+ 316.11688 183.8
[M-H]- 292.12038 172.9
[M+NH4]+ 311.16148 184.0
[M+K]+ 332.09082 176.8
[M+H-H2O]+ 276.12492 160.1
[M+HCOO]- 338.12586 189.0
[M+CH3COO]- 352.14151 181.6
[M+Na-2H]- 314.10233 173.6
[M]+ 293.12711 175.4
[M]- 293.12821 175.4
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.