CID 6452683

52642-22-5

Structural Information

Molecular Formula
C33H50N2O8
SMILES
CCC(COCC=C)(COCC=C)COC(=O)NC1=C(C(=CC=C1)NC(=O)OCC(CC)(COCC=C)COCC=C)C
InChI
InChI=1S/C33H50N2O8/c1-8-17-38-21-32(12-5,22-39-18-9-2)25-42-30(36)34-28-15-14-16-29(27(28)7)35-31(37)43-26-33(13-6,23-40-19-10-3)24-41-20-11-4/h8-11,14-16H,1-4,12-13,17-26H2,5-7H3,(H,34,36)(H,35,37)
InChIKey
SJLWPYKPYNVSQZ-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoxymethyl)butyl N-[3-[2,2-bis(prop-2-enoxymethyl)butoxycarbonylamino]-2-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 243.0
[M+Na]+ 625.34592 249.6
[M+NH4]+ 620.39052 246.8
[M+K]+ 641.31986 245.3
[M-H]- 601.34942 239.4
[M+Na-2H]- 623.33137 246.9
[M]+ 602.35615 243.5
[M]- 602.35725 243.5
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.