CID 6441742

68442-00-2

Structural Information

Molecular Formula
C30H59N3O4
SMILES
CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN(CCOCCO)CCOCCO
InChI
InChI=1S/C30H59N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-31-18-19-33(30)21-20-32(22-26-36-28-24-34)23-27-37-29-25-35/h9-10,34-35H,2-8,11-29H2,1H3/b10-9+
InChIKey
YMIHXNPTZBTIMF-MDZDMXLPSA-N
Compound name
2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

525.45056 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.45784 239.4
[M+Na]+ 548.43978 235.6
[M-H]- 524.44328 234.5
[M+NH4]+ 543.48438 243.1
[M+K]+ 564.41372 230.3
[M+H-H2O]+ 508.44782 227.7
[M+HCOO]- 570.44876 253.1
[M+CH3COO]- 584.46441 249.5
[M+Na-2H]- 546.42523 232.3
[M]+ 525.45001 249.1
[M]- 525.45111 249.1
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.