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]+ 361.13942 184.4
[M+Na]+ 383.12136 193.8
[M+NH4]+ 378.16596 190.6
[M+K]+ 399.09530 192.0
[M-H]- 359.12486 190.9
[M+Na-2H]- 381.10681 190.0
[M]+ 360.13159 188.5
[M]- 360.13269 188.5
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.