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]+ 267.170336 163.8
[M+Na]+ 289.152278 167.4
[M-H]- 265.155784 165.4
[M+NH4]+ 284.196883 178.9
[M+K]+ 305.126218 165.4
[M+H-H2O]+ 249.160320 156.4
[M+HCOO]- 311.161261 186.1
[M+CH3COO]- 325.176911 201.3
[M+Na-2H]- 287.137726 166.2
[M]+ 266.16251142 164.7
[M]- 266.16360858 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.