CID 112551

63059-80-3

Structural Information

Molecular Formula
C33H60N2O6
SMILES
CCCCCCCCCCCC(=O)OCCN1C(=O)C(N(C1=O)CCOC(=O)CCCCCCCCCCC)(C)C
InChI
InChI=1S/C33H60N2O6/c1-5-7-9-11-13-15-17-19-21-23-29(36)40-27-25-34-31(38)33(3,4)35(32(34)39)26-28-41-30(37)24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3
InChIKey
GIOMCCKTXLHGSZ-UHFFFAOYSA-N
Compound name
2-[3-(2-dodecanoyloxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

481
Patents

580.4451 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.452376 251.2
[M+Na]+ 603.434318 262.2
[M-H]- 579.437824 243.7
[M+NH4]+ 598.478923 258.7
[M+K]+ 619.408258 258.0
[M+H-H2O]+ 563.442360 238.7
[M+HCOO]- 625.443301 264.7
[M+CH3COO]- 639.458951 260.7
[M+Na-2H]- 601.419766 237.2
[M]+ 580.44455142 252.9
[M]- 580.44564858 252.9
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

patents stripe