CID 15108571

127861-60-3

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H26N2O5/c1-17(22(27)29-15-18-9-4-2-5-10-18)24-21(26)20-13-8-14-25(20)23(28)30-16-19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3,(H,24,26)/t17-,20-/m0/s1
InChIKey
GTAMWDZBIDZKPP-PXNSSMCTSA-N
Compound name
benzyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 198.6
[M+Na]+ 433.17339 199.4
[M-H]- 409.17689 205.7
[M+NH4]+ 428.21799 207.7
[M+K]+ 449.14733 197.1
[M+H-H2O]+ 393.18143 188.3
[M+HCOO]- 455.18237 216.4
[M+CH3COO]- 469.19802 222.9
[M+Na-2H]- 431.15884 195.4
[M]+ 410.18362 198.4
[M]- 410.18472 198.4
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.