CID 3034280

2-propenoic acid, 2-methyl-, 2-hydroxy-3-[(2-hydroxybutyl)[2-(2-oxo-1-imidazolidinyl)ethyl]amino]propyl ester

Structural Information

Molecular Formula
C16H29N3O5
SMILES
CCC(CN(CCN1CCNC1=O)CC(COC(=O)C(=C)C)O)O
InChI
InChI=1S/C16H29N3O5/c1-4-13(20)9-18(7-8-19-6-5-17-16(19)23)10-14(21)11-24-15(22)12(2)3/h13-14,20-21H,2,4-11H2,1,3H3,(H,17,23)
InChIKey
ZFJKCCADKFZVQF-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[2-hydroxybutyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.21072 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.21800 184.4
[M+Na]+ 366.19994 184.9
[M-H]- 342.20344 181.1
[M+NH4]+ 361.24454 194.4
[M+K]+ 382.17388 183.9
[M+H-H2O]+ 326.20798 176.4
[M+HCOO]- 388.20892 196.6
[M+CH3COO]- 402.22457 211.3
[M+Na-2H]- 364.18539 178.2
[M]+ 343.21017 183.4
[M]- 343.21127 183.4
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.