CID 289501

Nsc151663

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC(=O)C(=O)N1CC2=CC3=CC=CC=C3N=C2C1
InChI
InChI=1S/C14H12N2O2/c1-9(17)14(18)16-7-11-6-10-4-2-3-5-12(10)15-13(11)8-16/h2-6H,7-8H2,1H3
InChIKey
UEUSKNWGVGTTCG-UHFFFAOYSA-N
Compound name
1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 153.3
[M+Na]+ 263.07909 161.9
[M-H]- 239.08259 156.1
[M+NH4]+ 258.12369 171.9
[M+K]+ 279.05303 158.2
[M+H-H2O]+ 223.08713 145.7
[M+HCOO]- 285.08807 171.3
[M+CH3COO]- 299.10372 165.3
[M+Na-2H]- 261.06454 157.5
[M]+ 240.08932 153.7
[M]- 240.09042 153.7
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.