CID 471392

1-[(tert-butoxycarbonyl)-l-(o-benzyl)-tyrosyl]-3-pyrrolidinone

Structural Information

Molecular Formula
C25H30N2O5
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC(=O)C3
InChI
InChI=1S/C25H30N2O5/c1-25(2,3)32-24(30)26-22(23(29)27-14-13-20(28)16-27)15-18-9-11-21(12-10-18)31-17-19-7-5-4-6-8-19/h4-12,22H,13-17H2,1-3H3,(H,26,30)
InChIKey
QJMFKKSQVJLFQH-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-oxo-1-(3-oxopyrrolidin-1-yl)-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21548 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22276 206.6
[M+Na]+ 461.20470 208.0
[M-H]- 437.20820 213.9
[M+NH4]+ 456.24930 215.0
[M+K]+ 477.17864 205.5
[M+H-H2O]+ 421.21274 196.8
[M+HCOO]- 483.21368 223.1
[M+CH3COO]- 497.22933 229.5
[M+Na-2H]- 459.19015 204.2
[M]+ 438.21493 207.6
[M]- 438.21603 207.6
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.