CID 3086925

Suam 1253

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC(C)C[C@@H](C(=O)N1CCCC1)NC(=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C20H30N2O2/c1-16(2)15-18(20(24)22-13-6-7-14-22)21-19(23)12-8-11-17-9-4-3-5-10-17/h3-5,9-10,16,18H,6-8,11-15H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKey
XOHGSZCXFGJRDJ-SFHVURJKSA-N
Compound name
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 186.0
[M+Na]+ 353.219958 186.3
[M-H]- 329.223464 189.4
[M+NH4]+ 348.264563 199.0
[M+K]+ 369.193898 183.4
[M+H-H2O]+ 313.228000 176.9
[M+HCOO]- 375.228941 202.7
[M+CH3COO]- 389.244591 212.5
[M+Na-2H]- 351.205406 182.0
[M]+ 330.23019142 183.6
[M]- 330.23128858 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