CID 5272091

Chembl119050

Structural Information

Molecular Formula
C19H18N4
SMILES
CCN1C2=CC=CC=C2C3=NN=C(C(=C31)C4=CC=C(C=C4)C)N
InChI
InChI=1S/C19H18N4/c1-3-23-15-7-5-4-6-14(15)17-18(23)16(19(20)22-21-17)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H2,20,22)
InChIKey
QPTZKKAPBGTWMB-UHFFFAOYSA-N
Compound name
5-ethyl-4-(4-methylphenyl)pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.15314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16042 174.0
[M+Na]+ 325.14236 186.0
[M-H]- 301.14586 179.5
[M+NH4]+ 320.18696 189.0
[M+K]+ 341.11630 178.2
[M+H-H2O]+ 285.15040 164.1
[M+HCOO]- 347.15134 194.7
[M+CH3COO]- 361.16699 185.6
[M+Na-2H]- 323.12781 179.2
[M]+ 302.15259 176.4
[M]- 302.15369 176.4
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.