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]+ 331.23802 186.0
[M+Na]+ 353.21996 186.3
[M-H]- 329.22346 189.4
[M+NH4]+ 348.26456 199.0
[M+K]+ 369.19390 183.4
[M+H-H2O]+ 313.22800 176.9
[M+HCOO]- 375.22894 202.7
[M+CH3COO]- 389.24459 212.5
[M+Na-2H]- 351.20541 182.0
[M]+ 330.23019 183.6
[M]- 330.23129 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