CID 165727659

1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl 2-{[(tert-butoxy)carbonyl]amino}-2-cyclopropylacetate

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)NC(C1CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O6/c1-18(2,3)25-17(24)19-13(10-8-9-10)16(23)26-20-14(21)11-6-4-5-7-12(11)15(20)22/h4-7,10,13H,8-9H2,1-3H3,(H,19,24)
InChIKey
GSGOKYQTFWOMAA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]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 182.4
[M+Na]+ 383.121358 189.8
[M-H]- 359.124864 189.2
[M+NH4]+ 378.165963 191.5
[M+K]+ 399.095298 186.3
[M+H-H2O]+ 343.129400 176.4
[M+HCOO]- 405.130341 200.1
[M+CH3COO]- 419.145991 217.4
[M+Na-2H]- 381.106806 182.8
[M]+ 360.13159142 188.9
[M]- 360.13268858 188.9
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.