CID 104303

52723-96-3

Structural Information

Molecular Formula
C21H26N2O8
SMILES
CC1=C(C=C(C=C1)NC(=O)OC(C)COC(=O)C=C)NC(=O)OC(C)COC(=O)C=C
InChI
InChI=1S/C21H26N2O8/c1-6-18(24)28-11-14(4)30-20(26)22-16-9-8-13(3)17(10-16)23-21(27)31-15(5)12-29-19(25)7-2/h6-10,14-15H,1-2,11-12H2,3-5H3,(H,22,26)(H,23,27)
InChIKey
XLUSIRDIYAYDCT-UHFFFAOYSA-N
Compound name
2-[[4-methyl-3-(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)phenyl]carbamoyloxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1689 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17618 199.5
[M+Na]+ 457.15812 203.4
[M+NH4]+ 452.20272 219.2
[M+K]+ 473.13206 216.5
[M-H]- 433.16162 195.9
[M+Na-2H]- 455.14357 198.0
[M]+ 434.16835 198.0
[M]- 434.16945 198.0
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

No patent data available for this compound.