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 233.4
[M+Na]+ 625.27316 246.3
[M-H]- 601.27666 243.1
[M+NH4]+ 620.31776 248.7
[M+K]+ 641.24710 240.5
[M+H-H2O]+ 585.28120 235.8
[M+HCOO]- 647.28214 239.6
[M+CH3COO]- 661.29779 264.2
[M+Na-2H]- 623.25861 224.7
[M]+ 602.28339 232.4
[M]- 602.28449 232.4
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.