CID 170989

Einecs 257-025-7

Structural Information

Molecular Formula
C31H42N2O10
SMILES
CCCCC(CC)COC(=O)NC1=C(C(=CC=C1)NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C
InChI
InChI=1S/C31H42N2O10/c1-7-12-14-23(8-2)17-39-29(37)32-24-15-13-16-25(22(24)6)33-30(38)43-21-31(18-40-26(34)9-3,19-41-27(35)10-4)20-42-28(36)11-5/h9-11,13,15-16,23H,3-5,7-8,12,14,17-21H2,1-2,6H3,(H,32,37)(H,33,38)
InChIKey
NKNVNCKMHGFJHW-UHFFFAOYSA-N
Compound name
[2-[[3-(2-ethylhexoxycarbonylamino)-2-methylphenyl]carbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.28394 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.29122 242.8
[M+Na]+ 625.27316 249.3
[M+NH4]+ 620.31776 249.8
[M+K]+ 641.24710 246.7
[M-H]- 601.27666 246.3
[M+Na-2H]- 623.25861 248.9
[M]+ 602.28339 245.6
[M]- 602.28449 245.6
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.