CID 73556525

68683-46-5

Structural Information

Molecular Formula
C22H30N2O6
SMILES
CCC(COC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC=C)(OCC=C)OCC=C
InChI
InChI=1S/C22H30N2O6/c1-6-12-27-21(26)24-19-15-18(11-10-17(19)5)23-20(25)28-16-22(9-4,29-13-7-2)30-14-8-3/h6-8,10-11,15H,1-3,9,12-14,16H2,4-5H3,(H,23,25)(H,24,26)
InChIKey
CEZZWPOEKOXIIF-UHFFFAOYSA-N
Compound name
prop-2-enyl N-[5-[2,2-bis(prop-2-enoxy)butoxycarbonylamino]-2-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21768 201.5
[M+Na]+ 441.19962 207.1
[M+NH4]+ 436.24422 203.0
[M+K]+ 457.17356 203.1
[M-H]- 417.20312 199.4
[M+Na-2H]- 439.18507 201.8
[M]+ 418.20985 200.9
[M]- 418.21095 200.9
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.