CID 6410719

Brn 5993404

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CC1=CC(=NN1C2=C3C(=CN=N2)C4=CC(=C(C=C4N3)OC)OC)C
InChI
InChI=1S/C17H17N5O2/c1-9-5-10(2)22(21-9)17-16-12(8-18-20-17)11-6-14(23-3)15(24-4)7-13(11)19-16/h5-8,19H,1-4H3
InChIKey
WERBZNIGUCHJMW-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 176.7
[M+Na]+ 346.12742 193.2
[M+NH4]+ 341.17202 183.1
[M+K]+ 362.10136 190.0
[M-H]- 322.13092 178.5
[M+Na-2H]- 344.11287 182.8
[M]+ 323.13765 179.6
[M]- 323.13875 179.6
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

No patent data available for this compound.