CID 106996

Einecs 267-917-8

Structural Information

Molecular Formula
C26H41NO5
SMILES
CC(NC1=CC=CC=C1CCO)OC(=O)CCC(=O)OCCCCCCCCCCC=C
InChI
InChI=1S/C26H41NO5/c1-3-4-5-6-7-8-9-10-11-14-21-31-25(29)17-18-26(30)32-22(2)27-24-16-13-12-15-23(24)19-20-28/h3,12-13,15-16,22,27-28H,1,4-11,14,17-21H2,2H3
InChIKey
SWZHEPJDHWFCPE-UHFFFAOYSA-N
Compound name
1-O-dodec-11-enyl 4-O-[1-[2-(2-hydroxyethyl)anilino]ethyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.29846 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.30574 217.2
[M+Na]+ 470.28768 216.5
[M-H]- 446.29118 216.4
[M+NH4]+ 465.33228 224.7
[M+K]+ 486.26162 212.4
[M+H-H2O]+ 430.29572 207.7
[M+HCOO]- 492.29666 234.1
[M+CH3COO]- 506.31231 234.4
[M+Na-2H]- 468.27313 212.0
[M]+ 447.29791 223.8
[M]- 447.29901 223.8
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.