CID 57890

100482-36-8

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN(CC)CC)O
InChI
InChI=1S/C17H28N2O3/c1-4-11-18-15-9-7-14(8-10-15)17(21)22-13-16(20)12-19(5-2)6-3/h7-10,16,18,20H,4-6,11-13H2,1-3H3
InChIKey
DJZSCFGXUMAURO-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2-hydroxypropyl] 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 178.0
[M+Na]+ 331.199218 180.5
[M-H]- 307.202724 180.5
[M+NH4]+ 326.243823 192.0
[M+K]+ 347.173158 179.2
[M+H-H2O]+ 291.207260 169.9
[M+HCOO]- 353.208201 199.7
[M+CH3COO]- 367.223851 213.6
[M+Na-2H]- 329.184666 178.1
[M]+ 308.20945142 181.2
[M]- 308.21054858 181.2
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.