CID 115801

64051-44-1

Structural Information

Molecular Formula
C60H111N5O4
SMILES
CCCCCCCCCCCCCCCC=CCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)CCCCCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C60H111N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-56-54-58(67)65(60(56)69)52-50-63-48-46-61-45-47-62-49-51-64-57(66)53-55(59(64)68)43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,55-56,61-63H,3-17,19,21-27,29,31-54H2,1-2H3
InChIKey
ASJDYKOHJKINAF-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracos-8-enylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-icos-11-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

965.8636 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 966.87088 347.3
[M+Na]+ 988.85282 360.2
[M-H]- 964.85632 334.8
[M+NH4]+ 983.89742 347.7
[M+K]+ 1004.8268 359.6
[M+H-H2O]+ 948.86086 344.5
[M+HCOO]- 1010.8618 355.8
[M+CH3COO]- 1024.8775 340.8
[M+Na-2H]- 986.83827 321.4
[M]+ 965.86305 341.5
[M]- 965.86415 341.5
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.