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 182.4
[M+Na]+ 383.12136 189.8
[M-H]- 359.12486 189.2
[M+NH4]+ 378.16596 191.5
[M+K]+ 399.09530 186.3
[M+H-H2O]+ 343.12940 176.4
[M+HCOO]- 405.13034 200.1
[M+CH3COO]- 419.14599 217.4
[M+Na-2H]- 381.10681 182.8
[M]+ 360.13159 188.9
[M]- 360.13269 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.