CID 3059486

Benzamide, n-(2-phenoxyphenyl)-2-(2-(1-pyrrolidinyl)ethoxy)-, monohydrochloride

Structural Information

Molecular Formula
C25H26N2O3
SMILES
C1CCN(C1)CCOC2=CC=CC=C2C(=O)NC3=CC=CC=C3OC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O3/c28-25(21-12-4-6-14-23(21)29-19-18-27-16-8-9-17-27)26-22-13-5-7-15-24(22)30-20-10-2-1-3-11-20/h1-7,10-15H,8-9,16-19H2,(H,26,28)
InChIKey
SBAILJRXWRUBAH-UHFFFAOYSA-N
Compound name
N-(2-phenoxyphenyl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.201616 196.6
[M+Na]+ 425.183558 199.0
[M-H]- 401.187064 206.7
[M+NH4]+ 420.228163 205.8
[M+K]+ 441.157498 193.7
[M+H-H2O]+ 385.191600 184.8
[M+HCOO]- 447.192541 216.9
[M+CH3COO]- 461.208191 204.7
[M+Na-2H]- 423.169006 196.8
[M]+ 402.19379142 195.1
[M]- 402.19488858 195.1
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.