CID 5272077

Chembl326827

Structural Information

Molecular Formula
C18H17N5
SMILES
CN(C)C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3
InChI
InChI=1S/C18H17N5/c1-23(2)12-9-7-11(8-10-12)15-17-16(21-22-18(15)19)13-5-3-4-6-14(13)20-17/h3-10,20H,1-2H3,(H2,19,22)
InChIKey
MUAARCGPNTZRTI-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-5H-pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1484 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 170.7
[M+Na]+ 326.13762 181.0
[M-H]- 302.14112 176.2
[M+NH4]+ 321.18222 185.0
[M+K]+ 342.11156 174.1
[M+H-H2O]+ 286.14566 160.9
[M+HCOO]- 348.14660 191.9
[M+CH3COO]- 362.16225 181.9
[M+Na-2H]- 324.12307 177.2
[M]+ 303.14785 171.4
[M]- 303.14895 171.4
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.