CID 3023578

94108-69-7

Structural Information

Molecular Formula
C25H46N2O3
SMILES
CCCCCCCCC=CCCCCCCCC1=NCCN1CCOCCC(=O)O
InChI
InChI=1S/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h9-10H,2-8,11-23H2,1H3,(H,28,29)
InChIKey
HIUUYKQXGKZRNS-UHFFFAOYSA-N
Compound name
3-[2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.35083 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.35811 214.2
[M+Na]+ 445.34005 214.1
[M-H]- 421.34355 210.4
[M+NH4]+ 440.38465 222.6
[M+K]+ 461.31399 208.6
[M+H-H2O]+ 405.34809 204.1
[M+HCOO]- 467.34903 228.6
[M+CH3COO]- 481.36468 227.5
[M+Na-2H]- 443.32550 208.5
[M]+ 422.35028 220.9
[M]- 422.35138 220.9
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

No patent data available for this compound.