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]+ 407.144876 191.8
[M+Na]+ 429.126818 194.9
[M-H]- 405.130324 194.4
[M+NH4]+ 424.171423 201.3
[M+K]+ 445.100758 194.4
[M+H-H2O]+ 389.134860 183.0
[M+HCOO]- 451.135801 213.9
[M+CH3COO]- 465.151451 225.6
[M+Na-2H]- 427.112266 190.1
[M]+ 406.13705142 198.7
[M]- 406.13814858 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.