CID 5272094

Chembl116636

Structural Information

Molecular Formula
C22H24N4
SMILES
CCCN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=C(C=C4)C(C)C)N
InChI
InChI=1S/C22H24N4/c1-4-13-26-18-8-6-5-7-17(18)20-21(26)19(22(23)25-24-20)16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,23,25)
InChIKey
KXPLPKSKQWIKPS-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylphenyl)-5-propylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.2001 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20738 187.8
[M+Na]+ 367.18932 197.9
[M-H]- 343.19282 192.8
[M+NH4]+ 362.23392 200.9
[M+K]+ 383.16326 190.1
[M+H-H2O]+ 327.19736 177.5
[M+HCOO]- 389.19830 206.4
[M+CH3COO]- 403.21395 197.9
[M+Na-2H]- 365.17477 190.3
[M]+ 344.19955 190.5
[M]- 344.20065 190.5
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.