CID 132582107

1947316-67-7

Structural Information

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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.155076 182.4
[M+Na]+ 385.137018 187.8
[M-H]- 361.140524 185.6
[M+NH4]+ 380.181623 196.2
[M+K]+ 401.110958 187.5
[M+H-H2O]+ 345.145060 176.3
[M+HCOO]- 407.146001 199.3
[M+CH3COO]- 421.161651 217.9
[M+Na-2H]- 383.122466 181.6
[M]+ 362.14725142 187.2
[M]- 362.14834858 187.2
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.