CID 102999

Benzyl (s)-(1-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-3-methylbutyl)carbamate

Structural Information

Molecular Formula
C18H22N2O6
SMILES
CC(C)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O6/c1-12(2)10-14(17(23)26-20-15(21)8-9-16(20)22)19-18(24)25-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,24)
InChIKey
YHZUOMRURVTBMO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

362.1478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15508 183.4
[M+Na]+ 385.13702 186.3
[M-H]- 361.14052 188.0
[M+NH4]+ 380.18162 195.2
[M+K]+ 401.11096 185.6
[M+H-H2O]+ 345.14506 174.9
[M+HCOO]- 407.14600 202.0
[M+CH3COO]- 421.16165 215.5
[M+Na-2H]- 383.12247 180.0
[M]+ 362.14725 185.4
[M]- 362.14835 185.4
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

patents stripe