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

355
Patents

580.4451 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.45238 251.2
[M+Na]+ 603.43432 262.2
[M-H]- 579.43782 243.7
[M+NH4]+ 598.47892 258.7
[M+K]+ 619.40826 258.0
[M+H-H2O]+ 563.44236 238.7
[M+HCOO]- 625.44330 264.7
[M+CH3COO]- 639.45895 260.7
[M+Na-2H]- 601.41977 237.2
[M]+ 580.44455 252.9
[M]- 580.44565 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