CID 5272093

Chembl332267

Structural Information

Molecular Formula
C18H15ClN4
SMILES
CCN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=CC=C4Cl)N
InChI
InChI=1S/C18H15ClN4/c1-2-23-14-10-6-4-8-12(14)16-17(23)15(18(20)22-21-16)11-7-3-5-9-13(11)19/h3-10H,2H2,1H3,(H2,20,22)
InChIKey
LTCOBPIIWGTUGA-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-5-ethylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.0985 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10578 176.4
[M+Na]+ 345.08772 189.5
[M-H]- 321.09122 181.5
[M+NH4]+ 340.13232 191.4
[M+K]+ 361.06166 180.7
[M+H-H2O]+ 305.09576 166.8
[M+HCOO]- 367.09670 192.7
[M+CH3COO]- 381.11235 187.9
[M+Na-2H]- 343.07317 181.5
[M]+ 322.09795 180.6
[M]- 322.09905 180.6
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.