CID 3056963

73927-00-1

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C1CC(=O)N(C1=O)CNC2=CC3=CC=CC=C3NC2
InChI
InChI=1S/C14H15N3O2/c18-13-5-6-14(19)17(13)9-16-11-7-10-3-1-2-4-12(10)15-8-11/h1-4,7,15-16H,5-6,8-9H2
InChIKey
SFJFXJLEUGTYTN-UHFFFAOYSA-N
Compound name
1-[(1,2-dihydroquinolin-3-ylamino)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 157.3
[M+Na]+ 280.10564 164.0
[M-H]- 256.10914 160.6
[M+NH4]+ 275.15024 173.0
[M+K]+ 296.07958 158.8
[M+H-H2O]+ 240.11368 148.8
[M+HCOO]- 302.11462 175.6
[M+CH3COO]- 316.13027 167.9
[M+Na-2H]- 278.09109 160.8
[M]+ 257.11587 152.8
[M]- 257.11697 152.8
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.