CID 165730948

2244699-99-6

Structural Information

Molecular Formula
C18H22N2O6
SMILES
CC(C)(C)OC(=O)NC(C)(C)CC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C18H22N2O6/c1-17(2,3)25-16(24)19-18(4,5)10-13(21)26-20-14(22)11-8-6-7-9-12(11)15(20)23/h6-9H,10H2,1-5H3,(H,19,24)
InChIKey
LHBKUCFGFMKWSJ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 182.9
[M+Na]+ 385.13702 189.2
[M-H]- 361.14052 186.2
[M+NH4]+ 380.18162 196.9
[M+K]+ 401.11096 188.4
[M+H-H2O]+ 345.14506 177.1
[M+HCOO]- 407.14600 200.1
[M+CH3COO]- 421.16165 216.5
[M+Na-2H]- 383.12247 185.7
[M]+ 362.14725 188.4
[M]- 362.14835 188.4
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.