CID 19746999

94087-04-4

Structural Information

Molecular Formula
C18H36N2O4
SMILES
CCCCCCCCCCCC(=O)N(CCNCC(=O)O)CCO
InChI
InChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-17(22)20(14-15-21)13-12-19-16-18(23)24/h19,21H,2-16H2,1H3,(H,23,24)
InChIKey
KGSSQSMFQRTYQF-UHFFFAOYSA-N
Compound name
2-[2-[dodecanoyl(2-hydroxyethyl)amino]ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

344.26752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.274796 190.9
[M+Na]+ 367.256738 190.6
[M-H]- 343.260244 187.5
[M+NH4]+ 362.301343 202.6
[M+K]+ 383.230678 188.8
[M+H-H2O]+ 327.264780 183.0
[M+HCOO]- 389.265721 209.6
[M+CH3COO]- 403.281371 218.6
[M+Na-2H]- 365.242186 188.0
[M]+ 344.26697142 195.4
[M]- 344.26806858 195.4
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

patents stripe