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 212.2
[M+Na]+ 482.24142 211.5
[M-H]- 458.24492 218.2
[M+NH4]+ 477.28602 214.7
[M+K]+ 498.21536 205.2
[M+H-H2O]+ 442.24946 198.5
[M+HCOO]- 504.25040 225.3
[M+CH3COO]- 518.26605 233.2
[M+Na-2H]- 480.22687 211.7
[M]+ 459.25165 207.4
[M]- 459.25275 207.4
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