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

146
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

literature stripe

Patent stripe

patents stripe