CID 162369747

Ess

Structural Information

Molecular Formula
C20H34N4O5
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CC3(C2)CNC3
InChI
InChI=1S/C20H34N4O5/c1-12(2)5-16(24-19(28)29-15-7-20(8-15)10-21-11-20)18(27)23-14(9-25)6-13-3-4-22-17(13)26/h12-16,21,25H,3-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t13-,14-,16-/m0/s1
InChIKey
BTQCUPQTJHIYSJ-DZKIICNBSA-N
Compound name
2-azaspiro[3.3]heptan-6-yl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.25293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26021 208.6
[M+Na]+ 433.24215 201.3
[M-H]- 409.24565 207.6
[M+NH4]+ 428.28675 203.3
[M+K]+ 449.21609 206.4
[M+H-H2O]+ 393.25019 189.5
[M+HCOO]- 455.25113 213.5
[M+CH3COO]- 469.26678 229.3
[M+Na-2H]- 431.22760 199.8
[M]+ 410.25238 217.2
[M]- 410.25348 217.2
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.