CID 6476650

Schembl16321254

Structural Information

Molecular Formula
C20H36N2O3
SMILES
CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)C(C)C)/C=C\C)NC(=O)C)OC
InChI
InChI=1S/C20H36N2O3/c1-8-10-15-12-16(18(24)13(3)4)22-17(15)19(21-14(5)23)20(6,25-7)11-9-2/h8,10,13,15-17,19,22H,9,11-12H2,1-7H3,(H,21,23)/b10-8-/t15-,16-,17-,19-,20+/m1/s1
InChIKey
ZPHYENGDBAFQIW-CESWYQKLSA-N
Compound name
N-[(1R,2S)-2-methoxy-2-methyl-1-[(2R,3S,5R)-5-(2-methylpropanoyl)-3-[(Z)-prop-1-enyl]pyrrolidin-2-yl]pentyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.27258 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27986 192.2
[M+Na]+ 375.26180 193.5
[M-H]- 351.26530 191.5
[M+NH4]+ 370.30640 204.7
[M+K]+ 391.23574 191.1
[M+H-H2O]+ 335.26984 185.7
[M+HCOO]- 397.27078 204.8
[M+CH3COO]- 411.28643 218.5
[M+Na-2H]- 373.24725 185.6
[M]+ 352.27203 191.6
[M]- 352.27313 191.6
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

No patent data available for this compound.