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]+ 419.217676 201.4
[M+Na]+ 441.199618 204.0
[M-H]- 417.203124 203.6
[M+NH4]+ 436.244223 210.9
[M+K]+ 457.173558 201.4
[M+H-H2O]+ 401.207660 192.8
[M+HCOO]- 463.208601 222.2
[M+CH3COO]- 477.224251 230.6
[M+Na-2H]- 439.185066 201.3
[M]+ 418.20985142 208.2
[M]- 418.21094858 208.2
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.