CID 3033556

73622-95-4

Structural Information

Molecular Formula
C28H54N2O4
SMILES
CCCCCCCCCCCCOC(=O)N/C=C/NC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C28H54N2O4/c1-3-5-7-9-11-13-15-17-19-21-25-33-27(31)29-23-24-30-28(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3,(H,29,31)(H,30,32)/b24-23+
InChIKey
QCWNNMTYLOAEEC-WCWDXBQESA-N
Compound name
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.40836 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.41564 244.7
[M+Na]+ 505.39758 254.1
[M-H]- 481.40108 237.1
[M+NH4]+ 500.44218 245.1
[M+K]+ 521.37152 249.2
[M+H-H2O]+ 465.40562 243.8
[M+HCOO]- 527.40656 250.2
[M+CH3COO]- 541.42221 246.1
[M+Na-2H]- 503.38303 230.8
[M]+ 482.40781 240.2
[M]- 482.40891 240.2
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.