CID 170700

Einecs 255-994-0

Structural Information

Molecular Formula
C33H50N2O8
SMILES
CCC(COCC=C)(COCC=C)COC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC(CC)(COCC=C)COCC=C
InChI
InChI=1S/C33H50N2O8/c1-8-16-38-21-32(12-5,22-39-17-9-2)25-42-30(36)34-28-15-14-27(7)29(20-28)35-31(37)43-26-33(13-6,23-40-18-10-3)24-41-19-11-4/h8-11,14-15,20H,1-4,12-13,16-19,21-26H2,5-7H3,(H,34,36)(H,35,37)
InChIKey
UCLJSASYJKYCRD-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoxymethyl)butyl N-[3-[2,2-bis(prop-2-enoxymethyl)butoxycarbonylamino]-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

602.3567 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.363976 233.3
[M+Na]+ 625.345918 243.5
[M-H]- 601.349424 236.0
[M+NH4]+ 620.390523 241.6
[M+K]+ 641.319858 238.9
[M+H-H2O]+ 585.353960 231.2
[M+HCOO]- 647.354901 247.5
[M+CH3COO]- 661.370551 266.1
[M+Na-2H]- 623.331366 221.7
[M]+ 602.35615142 232.8
[M]- 602.35724858 232.8
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.