CID 363470

Nsc628381

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=NC2=C(C=C1)C(=O)C(=O)C=C2N3CCCC3
InChI
InChI=1S/C14H14N2O2/c1-9-4-5-10-13(15-9)11(8-12(17)14(10)18)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3
InChIKey
DUCCSXSTJIRZLQ-UHFFFAOYSA-N
Compound name
2-methyl-8-pyrrolidin-1-ylquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.3
[M+Na]+ 265.09475 163.3
[M-H]- 241.09825 159.4
[M+NH4]+ 260.13935 172.1
[M+K]+ 281.06869 159.0
[M+H-H2O]+ 225.10279 146.2
[M+HCOO]- 287.10373 173.0
[M+CH3COO]- 301.11938 166.5
[M+Na-2H]- 263.08020 156.7
[M]+ 242.10498 152.6
[M]- 242.10608 152.6
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.