CID 685632

Brn 1540502

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1CC(=O)N(C1=O)CN2CCC3=CC=CC=C3C2
InChI
InChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2
InChIKey
FTMAYTLLZJHDEK-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.8
[M+Na]+ 267.11041 162.8
[M-H]- 243.11391 160.1
[M+NH4]+ 262.15501 173.1
[M+K]+ 283.08435 158.7
[M+H-H2O]+ 227.11845 147.3
[M+HCOO]- 289.11939 173.1
[M+CH3COO]- 303.13504 167.1
[M+Na-2H]- 265.09586 157.9
[M]+ 244.12064 152.3
[M]- 244.12174 152.3
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

patents stripe