CID 5272102

N-(5-methyl-4-phenyl-pyridazino[4,3-b]indol-3-yl)acetamide

Structural Information

Molecular Formula
C19H16N4O
SMILES
CC(=O)NC1=NN=C2C3=CC=CC=C3N(C2=C1C4=CC=CC=C4)C
InChI
InChI=1S/C19H16N4O/c1-12(24)20-19-16(13-8-4-3-5-9-13)18-17(21-22-19)14-10-6-7-11-15(14)23(18)2/h3-11H,1-2H3,(H,20,22,24)
InChIKey
JBFAVNSFOQXMFQ-UHFFFAOYSA-N
Compound name
N-(5-methyl-4-phenylpyridazino[4,3-b]indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13242 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 175.1
[M+Na]+ 339.12164 185.9
[M-H]- 315.12514 180.9
[M+NH4]+ 334.16624 189.2
[M+K]+ 355.09558 179.1
[M+H-H2O]+ 299.12968 165.0
[M+HCOO]- 361.13062 195.8
[M+CH3COO]- 375.14627 186.4
[M+Na-2H]- 337.10709 181.1
[M]+ 316.13187 178.0
[M]- 316.13297 178.0
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.