CID 57892

100482-37-9

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CNC)O
InChI
InChI=1S/C14H22N2O3/c1-3-8-16-12-6-4-11(5-7-12)14(18)19-10-13(17)9-15-2/h4-7,13,15-17H,3,8-10H2,1-2H3
InChIKey
JRDDPBHDWSDGDS-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(methylamino)propyl] 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.8
[M+Na]+ 289.15228 167.4
[M-H]- 265.15578 165.4
[M+NH4]+ 284.19688 178.9
[M+K]+ 305.12622 165.4
[M+H-H2O]+ 249.16032 156.4
[M+HCOO]- 311.16126 186.1
[M+CH3COO]- 325.17691 201.3
[M+Na-2H]- 287.13773 166.2
[M]+ 266.16251 164.7
[M]- 266.16361 164.7
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.