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]+ 361.13942 182.8
[M+Na]+ 383.12136 191.6
[M+NH4]+ 378.16596 187.4
[M+K]+ 399.09530 192.3
[M-H]- 359.12486 189.0
[M+Na-2H]- 381.10681 186.5
[M]+ 360.13159 186.4
[M]- 360.13269 186.4
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.