CID 3025487

103295-58-5

Structural Information

Molecular Formula
C18H26N4O2
SMILES
CN1CCN(CC1)C(=O)NCC2CC(=O)N(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)
InChIKey
NXDJWEINEGQCBN-UHFFFAOYSA-N
Compound name
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

330.20557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21285 181.9
[M+Na]+ 353.19479 191.2
[M+NH4]+ 348.23939 187.6
[M+K]+ 369.16873 187.0
[M-H]- 329.19829 184.9
[M+Na-2H]- 351.18024 186.5
[M]+ 330.20502 183.6
[M]- 330.20612 183.6
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

patents stripe