CID 471356

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

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCC(=O)C2
InChI
InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-15(10-12-4-6-13(21)7-5-12)16(23)20-9-8-14(22)11-20/h4-7,15,21H,8-11H2,1-3H3,(H,19,24)
InChIKey
DQLDSUYPUGAJDR-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxopyrrolidin-1-yl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 182.1
[M+Na]+ 371.15774 185.3
[M-H]- 347.16124 185.7
[M+NH4]+ 366.20234 194.3
[M+K]+ 387.13168 183.7
[M+H-H2O]+ 331.16578 174.8
[M+HCOO]- 393.16672 198.3
[M+CH3COO]- 407.18237 210.5
[M+Na-2H]- 369.14319 180.5
[M]+ 348.16797 181.7
[M]- 348.16907 181.7
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.