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]+ 363.15508 182.4
[M+Na]+ 385.13702 187.8
[M-H]- 361.14052 185.6
[M+NH4]+ 380.18162 196.2
[M+K]+ 401.11096 187.5
[M+H-H2O]+ 345.14506 176.3
[M+HCOO]- 407.14600 199.3
[M+CH3COO]- 421.16165 217.9
[M+Na-2H]- 383.12247 181.6
[M]+ 362.14725 187.2
[M]- 362.14835 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.