CID 3071265

87576-03-2

Structural Information

Molecular Formula
C23H30ClN3O2
SMILES
C1CN(CCN(C1)CC2=CC=CC=C2)CCCNC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H30ClN3O2/c24-21-8-10-22(11-9-21)29-19-23(28)25-12-4-13-26-14-5-15-27(17-16-26)18-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-19H2,(H,25,28)
InChIKey
AUMGHVDHMILOIQ-UHFFFAOYSA-N
Compound name
N-[3-(4-benzyl-1,4-diazepan-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.20267 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20995 202.7
[M+Na]+ 438.19189 213.2
[M+NH4]+ 433.23649 208.4
[M+K]+ 454.16583 205.6
[M-H]- 414.19539 207.2
[M+Na-2H]- 436.17734 209.6
[M]+ 415.20212 205.6
[M]- 415.20322 205.6
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.