CID 11089751

3397-35-1

Structural Information

Molecular Formula
C18H22N2O6
SMILES
CC(C)C[C@@H](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)/t14-/m0/s1
InChIKey
YHZUOMRURVTBMO-AWEZNQCLSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

362.1478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.155076 183.4
[M+Na]+ 385.137018 186.3
[M-H]- 361.140524 188.0
[M+NH4]+ 380.181623 195.2
[M+K]+ 401.110958 185.6
[M+H-H2O]+ 345.145060 174.9
[M+HCOO]- 407.146001 202.0
[M+CH3COO]- 421.161651 215.5
[M+Na-2H]- 383.122466 180.0
[M]+ 362.14725142 185.4
[M]- 362.14834858 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

literature stripe

Patent stripe

patents stripe