CID 5272092

Chembl116801

Structural Information

Molecular Formula
C21H22N4
SMILES
CCN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=C(C=C4)C(C)C)N
InChI
InChI=1S/C21H22N4/c1-4-25-17-8-6-5-7-16(17)19-20(25)18(21(22)24-23-19)15-11-9-14(10-12-15)13(2)3/h5-13H,4H2,1-3H3,(H2,22,24)
InChIKey
UHLCKMZBVHYPJK-UHFFFAOYSA-N
Compound name
5-ethyl-4-(4-propan-2-ylphenyl)pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.18445 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19173 183.3
[M+Na]+ 353.17367 193.9
[M-H]- 329.17717 188.5
[M+NH4]+ 348.21827 197.0
[M+K]+ 369.14761 186.3
[M+H-H2O]+ 313.18171 173.2
[M+HCOO]- 375.18265 202.2
[M+CH3COO]- 389.19830 193.8
[M+Na-2H]- 351.15912 186.3
[M]+ 330.18390 185.7
[M]- 330.18500 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.