CID 86812199

1798715-69-1

Structural Information

Molecular Formula
C20H27NO6
SMILES
CC(C)(C)OC(=O)N(C(=C)C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H27NO6/c1-14(16(22)25-13-15-11-9-8-10-12-15)21(17(23)26-19(2,3)4)18(24)27-20(5,6)7/h8-12H,1,13H2,2-7H3
InChIKey
BWSDQQVQCZIBQV-UHFFFAOYSA-N
Compound name
benzyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

377.18384 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19112 187.1
[M+Na]+ 400.17306 190.1
[M-H]- 376.17656 191.3
[M+NH4]+ 395.21766 199.2
[M+K]+ 416.14700 191.6
[M+H-H2O]+ 360.18110 180.4
[M+HCOO]- 422.18204 204.8
[M+CH3COO]- 436.19769 220.9
[M+Na-2H]- 398.15851 187.5
[M]+ 377.18329 193.5
[M]- 377.18439 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe