CID 57755

Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(phenylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCC(CNC2=CC=CC=C2)O
InChI
InChI=1S/C20H26N2O3/c1-2-3-13-21-18-11-9-16(10-12-18)20(24)25-15-19(23)14-22-17-7-5-4-6-8-17/h4-12,19,21-23H,2-3,13-15H2,1H3
InChIKey
GIDLPEIMOJLSKU-UHFFFAOYSA-N
Compound name
(3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.5
[M+Na]+ 365.18356 185.5
[M-H]- 341.18706 187.5
[M+NH4]+ 360.22816 194.8
[M+K]+ 381.15750 181.7
[M+H-H2O]+ 325.19160 174.2
[M+HCOO]- 387.19254 205.1
[M+CH3COO]- 401.20819 215.1
[M+Na-2H]- 363.16901 185.6
[M]+ 342.19379 183.9
[M]- 342.19489 183.9
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.