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
1
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]+ 603.36398 233.3
[M+Na]+ 625.34592 243.5
[M-H]- 601.34942 236.0
[M+NH4]+ 620.39052 241.6
[M+K]+ 641.31986 238.9
[M+H-H2O]+ 585.35396 231.2
[M+HCOO]- 647.35490 247.5
[M+CH3COO]- 661.37055 266.1
[M+Na-2H]- 623.33137 221.7
[M]+ 602.35615 232.8
[M]- 602.35725 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.