CID 5272083

Chembl113655

Structural Information

Molecular Formula
C20H20N4
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3C
InChI
InChI=1S/C20H20N4/c1-12(2)13-8-10-14(11-9-13)17-19-18(22-23-20(17)21)15-6-4-5-7-16(15)24(19)3/h4-12H,1-3H3,(H2,21,23)
InChIKey
QESKTGPWJKWNMI-UHFFFAOYSA-N
Compound name
5-methyl-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

316.1688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17608 178.8
[M+Na]+ 339.15802 189.8
[M-H]- 315.16152 184.1
[M+NH4]+ 334.20262 193.0
[M+K]+ 355.13196 182.5
[M+H-H2O]+ 299.16606 168.8
[M+HCOO]- 361.16700 198.0
[M+CH3COO]- 375.18265 189.8
[M+Na-2H]- 337.14347 182.3
[M]+ 316.16825 180.9
[M]- 316.16935 180.9
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.