CID 111491

Einecs 271-926-2

Structural Information

Molecular Formula
C20H36N2O5
SMILES
CCCCCCCC1N(C=CN1CCOCCC(=O)OC)CCC(=O)OC
InChI
InChI=1S/C20H36N2O5/c1-4-5-6-7-8-9-18-21(12-10-19(23)25-2)13-14-22(18)15-17-27-16-11-20(24)26-3/h13-14,18H,4-12,15-17H2,1-3H3
InChIKey
QRPOISBXIZMALK-UHFFFAOYSA-N
Compound name
methyl 3-[2-heptyl-3-[2-(3-methoxy-3-oxopropoxy)ethyl]-2H-imidazol-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.26242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.26970 197.4
[M+Na]+ 407.25164 200.5
[M-H]- 383.25514 196.6
[M+NH4]+ 402.29624 208.3
[M+K]+ 423.22558 198.7
[M+H-H2O]+ 367.25968 188.4
[M+HCOO]- 429.26062 214.4
[M+CH3COO]- 443.27627 220.7
[M+Na-2H]- 405.23709 193.2
[M]+ 384.26187 206.8
[M]- 384.26297 206.8
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.