CID 146200

90505-66-1

Structural Information

Molecular Formula
C27H32N2O3
SMILES
CC(CCC1=CC=C(C=C1)C(=O)N)N(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O
InChI
InChI=1S/C27H32N2O3/c1-20(12-13-21-14-16-24(17-15-21)27(28)32)29(18-25(30)22-8-4-2-5-9-22)19-26(31)23-10-6-3-7-11-23/h2-11,14-17,20,25-26,30-31H,12-13,18-19H2,1H3,(H2,28,32)
InChIKey
OPPQEWZOPDBGAS-UHFFFAOYSA-N
Compound name
4-[3-[bis(2-hydroxy-2-phenylethyl)amino]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

171
Patents

432.2413 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 208.3
[M+Na]+ 455.23052 207.3
[M-H]- 431.23402 214.2
[M+NH4]+ 450.27512 214.5
[M+K]+ 471.20446 203.4
[M+H-H2O]+ 415.23856 197.7
[M+HCOO]- 477.23950 225.0
[M+CH3COO]- 491.25515 234.6
[M+Na-2H]- 453.21597 205.0
[M]+ 432.24075 205.7
[M]- 432.24185 205.7
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.