CID 5272076

Chembl325299

Structural Information

Molecular Formula
C17H14N4O
SMILES
COC1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3
InChI
InChI=1S/C17H14N4O/c1-22-11-8-6-10(7-9-11)14-16-15(20-21-17(14)18)12-4-2-3-5-13(12)19-16/h2-9,19H,1H3,(H2,18,21)
InChIKey
NGCWHCKYVCRFQQ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.11676 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12404 166.4
[M+Na]+ 313.10598 177.7
[M-H]- 289.10948 170.6
[M+NH4]+ 308.15058 180.8
[M+K]+ 329.07992 170.3
[M+H-H2O]+ 273.11402 156.9
[M+HCOO]- 335.11496 186.5
[M+CH3COO]- 349.13061 177.8
[M+Na-2H]- 311.09143 173.3
[M]+ 290.11621 167.4
[M]- 290.11731 167.4
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.