CID 3087863

116685-95-1

Structural Information

Molecular Formula
C28H33N3O3
SMILES
C1CN(CCN1CCNC(=O)C2=CC=CC=C2O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H33N3O3/c32-26-14-8-7-13-25(26)28(33)29-15-16-30-17-19-31(20-18-30)21-22-34-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,27,32H,15-22H2,(H,29,33)
InChIKey
ZFJMCIIRMBMOKM-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

459.2522 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.25948 216.4
[M+Na]+ 482.24142 228.8
[M+NH4]+ 477.28602 222.0
[M+K]+ 498.21536 220.3
[M-H]- 458.24492 223.2
[M+Na-2H]- 480.22687 225.5
[M]+ 459.25165 219.9
[M]- 459.25275 219.9
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

patents stripe