CID 372627

Nsc648072

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C22H16N4O/c27-22-21-18(14-26(22)25-19-12-6-7-13-23-19)24-17-11-5-4-10-16(17)20(21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)
InChIKey
IHVCHYSBJJENRE-UHFFFAOYSA-N
Compound name
9-phenyl-2-(pyridin-2-ylamino)-3H-pyrrolo[3,4-b]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 182.9
[M+Na]+ 375.12164 191.7
[M-H]- 351.12514 190.6
[M+NH4]+ 370.16624 194.4
[M+K]+ 391.09558 183.5
[M+H-H2O]+ 335.12968 170.9
[M+HCOO]- 397.13062 201.7
[M+CH3COO]- 411.14627 192.6
[M+Na-2H]- 373.10709 188.5
[M]+ 352.13187 181.8
[M]- 352.13297 181.8
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.