CID 3064645

Brn 5829762

Structural Information

Molecular Formula
C18H32N2O6
SMILES
CCC(CCCCC(=O)N(CC)CC(=O)O)CCCC(=O)NCC(=O)O
InChI
InChI=1S/C18H32N2O6/c1-3-14(9-7-10-15(21)19-12-17(23)24)8-5-6-11-16(22)20(4-2)13-18(25)26/h14H,3-13H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)
InChIKey
VZAIDVAQRNDFIW-UHFFFAOYSA-N
Compound name
2-[[10-[carboxymethyl(ethyl)amino]-5-ethyl-10-oxodecanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.22604 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23332 191.4
[M+Na]+ 395.21526 215.0
[M+NH4]+ 390.25986 212.9
[M+K]+ 411.18920 210.5
[M-H]- 371.21876 209.0
[M+Na-2H]- 393.20071 187.0
[M]+ 372.22549 209.0
[M]- 372.22659 209.0
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.