CID 154718403

67385-11-9

Structural Information

Molecular Formula
C17H20N2O6
SMILES
CC(C)(C)OC(=O)NCCCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H20N2O6/c1-17(2,3)24-16(23)18-10-6-9-13(20)25-19-14(21)11-7-4-5-8-12(11)15(19)22/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,23)
InChIKey
QDXCDNQWBLPYTC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13214 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13942 179.2
[M+Na]+ 371.12136 185.5
[M-H]- 347.12486 182.3
[M+NH4]+ 366.16596 193.6
[M+K]+ 387.09530 184.2
[M+H-H2O]+ 331.12940 172.6
[M+HCOO]- 393.13034 198.3
[M+CH3COO]- 407.14599 213.1
[M+Na-2H]- 369.10681 180.9
[M]+ 348.13159 184.7
[M]- 348.13269 184.7
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

No patent data available for this compound.