CID 165891533

2248394-95-6

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC(C)(C)OC(=O)NC1(CC1)CC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H20N2O6/c1-17(2,3)25-16(24)19-18(8-9-18)10-13(21)26-20-14(22)11-6-4-5-7-12(11)15(20)23/h4-7H,8-10H2,1-3H3,(H,19,24)
InChIKey
RBJWEFYGSKKMRA-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]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 183.8
[M+Na]+ 383.121358 192.3
[M-H]- 359.124864 190.7
[M+NH4]+ 378.165963 194.9
[M+K]+ 399.095298 189.3
[M+H-H2O]+ 343.129400 178.8
[M+HCOO]- 405.130341 202.1
[M+CH3COO]- 419.145991 216.0
[M+Na-2H]- 381.106806 186.5
[M]+ 360.13159142 191.4
[M]- 360.13268858 191.4
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.