CID 44147911

70893-52-6

Structural Information

Molecular Formula
C19H22N2O8
SMILES
CC1=C(C(=CC=C1)NC(=O)OCCOC(=O)C=C)NC(=O)OCCOC(=O)C=C
InChI
InChI=1S/C19H22N2O8/c1-4-15(22)26-9-11-28-18(24)20-14-8-6-7-13(3)17(14)21-19(25)29-12-10-27-16(23)5-2/h4-8H,1-2,9-12H2,3H3,(H,20,24)(H,21,25)
InChIKey
GVOFJZRRWJMYLH-UHFFFAOYSA-N
Compound name
2-[[3-methyl-2-(2-prop-2-enoyloxyethoxycarbonylamino)phenyl]carbamoyloxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14488 191.8
[M+Na]+ 429.12682 194.9
[M-H]- 405.13032 194.4
[M+NH4]+ 424.17142 201.3
[M+K]+ 445.10076 194.4
[M+H-H2O]+ 389.13486 183.0
[M+HCOO]- 451.13580 213.9
[M+CH3COO]- 465.15145 225.6
[M+Na-2H]- 427.11227 190.1
[M]+ 406.13705 198.7
[M]- 406.13815 198.7
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

No patent data available for this compound.