CID 146469569

123670-46-2

Structural Information

Molecular Formula
C22H22N2O6
SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H22N2O6/c1-22(2,3)29-21(28)23-17(13-14-9-5-4-6-10-14)20(27)30-24-18(25)15-11-7-8-12-16(15)19(24)26/h4-12,17H,13H2,1-3H3,(H,23,28)
InChIKey
IHWKVTOURNPYPP-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.1478 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.155076 195.6
[M+Na]+ 433.137018 200.4
[M-H]- 409.140524 201.8
[M+NH4]+ 428.181623 206.7
[M+K]+ 449.110958 198.4
[M+H-H2O]+ 393.145060 187.4
[M+HCOO]- 455.146001 213.3
[M+CH3COO]- 469.161651 224.9
[M+Na-2H]- 431.122466 196.0
[M]+ 410.14725142 199.6
[M]- 410.14834858 199.6
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

patents stripe