CID 5272075

Chembl113651

Structural Information

Molecular Formula
C19H18N4
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3
InChI
InChI=1S/C19H18N4/c1-11(2)12-7-9-13(10-8-12)16-18-17(22-23-19(16)20)14-5-3-4-6-15(14)21-18/h3-11,21H,1-2H3,(H2,20,23)
InChIKey
YIUUDRCTKKXZIX-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylphenyl)-5H-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16042 172.8
[M+Na]+ 325.14236 183.1
[M-H]- 301.14586 176.8
[M+NH4]+ 320.18696 186.8
[M+K]+ 341.11630 175.1
[M+H-H2O]+ 285.15040 163.4
[M+HCOO]- 347.15134 191.1
[M+CH3COO]- 361.16699 183.4
[M+Na-2H]- 323.12781 177.5
[M]+ 302.15259 172.5
[M]- 302.15369 172.5
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.