CID 5272095

Chembl325832

Structural Information

Molecular Formula
C23H27N5
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3CCN(C)C
InChI
InChI=1S/C23H27N5/c1-15(2)16-9-11-17(12-10-16)20-22-21(25-26-23(20)24)18-7-5-6-8-19(18)28(22)14-13-27(3)4/h5-12,15H,13-14H2,1-4H3,(H2,24,26)
InChIKey
QXCFJVDWAKNVNJ-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-4-(4-propan-2-ylphenyl)pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.22665 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23393 195.3
[M+Na]+ 396.21587 204.0
[M-H]- 372.21937 201.5
[M+NH4]+ 391.26047 207.4
[M+K]+ 412.18981 197.5
[M+H-H2O]+ 356.22391 184.4
[M+HCOO]- 418.22485 215.0
[M+CH3COO]- 432.24050 204.9
[M+Na-2H]- 394.20132 197.4
[M]+ 373.22610 198.9
[M]- 373.22720 198.9
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.