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]+ 411.15508 195.6
[M+Na]+ 433.13702 200.4
[M-H]- 409.14052 201.8
[M+NH4]+ 428.18162 206.7
[M+K]+ 449.11096 198.4
[M+H-H2O]+ 393.14506 187.4
[M+HCOO]- 455.14600 213.3
[M+CH3COO]- 469.16165 224.9
[M+Na-2H]- 431.12247 196.0
[M]+ 410.14725 199.6
[M]- 410.14835 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