CID 104303

2-propenoic acid, 1,1'-((4-methyl-1,3-phenylene)bis(iminocarbonyloxy(2-methyl-2,1-ethanediyl))) ester

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 200.7
[M+Na]+ 457.15812 202.5
[M-H]- 433.16162 203.1
[M+NH4]+ 452.20272 213.9
[M+K]+ 473.13206 203.0
[M+H-H2O]+ 417.16616 192.1
[M+HCOO]- 479.16710 210.0
[M+CH3COO]- 493.18275 233.3
[M+Na-2H]- 455.14357 195.8
[M]+ 434.16835 207.1
[M]- 434.16945 207.1
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.