CID 75624

1-(2-(ethyl(m-tolyl)amino)ethyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C15H20N2O2/c1-3-16(13-6-4-5-12(2)11-13)9-10-17-14(18)7-8-15(17)19/h4-6,11H,3,7-10H2,1-2H3
InChIKey
SNLLVPIXRHTWRC-UHFFFAOYSA-N
Compound name
1-[2-(N-ethyl-3-methylanilino)ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

260.15247 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 160.7
[M+Na]+ 283.141688 167.2
[M-H]- 259.145194 167.3
[M+NH4]+ 278.186293 178.4
[M+K]+ 299.115628 164.8
[M+H-H2O]+ 243.149730 152.7
[M+HCOO]- 305.150671 183.7
[M+CH3COO]- 319.166321 202.4
[M+Na-2H]- 281.127136 161.4
[M]+ 260.15192142 161.7
[M]- 260.15301858 161.7
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

patents stripe