CID 165728142

2248322-30-5

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)N(CC(=O)ON1C(=O)C2=CC=CC=C2C1=O)C3CC3
InChI
InChI=1S/C18H20N2O6/c1-18(2,3)25-17(24)19(11-8-9-11)10-14(21)26-20-15(22)12-6-4-5-7-13(12)16(20)23/h4-7,11H,8-10H2,1-3H3
InChIKey
QSWXKQFEKVBRRC-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.139416 183.7
[M+Na]+ 383.121358 191.5
[M-H]- 359.124864 191.8
[M+NH4]+ 378.165963 193.4
[M+K]+ 399.095298 188.8
[M+H-H2O]+ 343.129400 177.3
[M+HCOO]- 405.130341 202.8
[M+CH3COO]- 419.145991 219.5
[M+Na-2H]- 381.106806 184.3
[M]+ 360.13159142 191.9
[M]- 360.13268858 191.9
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.