CID 512828

Schembl5970206

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1=CC(=O)N(C1=O)C2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C16H18N2O2/c1-12-11-15(19)18(16(12)20)14-7-5-13(6-8-14)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3
InChIKey
HDQFSORQWDQSJZ-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.2
[M+Na]+ 293.12606 170.2
[M-H]- 269.12956 170.1
[M+NH4]+ 288.17066 178.4
[M+K]+ 309.10000 165.7
[M+H-H2O]+ 253.13410 153.9
[M+HCOO]- 315.13504 181.4
[M+CH3COO]- 329.15069 197.6
[M+Na-2H]- 291.11151 162.9
[M]+ 270.13629 159.4
[M]- 270.13739 159.4
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