CID 42603192

1150310-68-1

Structural Information

Molecular Formula
C28H32ClN3O2
SMILES
C1CN(CCN1CCOCC(=O)NCC2=CC=CC=C2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H32ClN3O2/c29-26-13-11-25(12-14-26)28(24-9-5-2-6-10-24)32-17-15-31(16-18-32)19-20-34-22-27(33)30-21-23-7-3-1-4-8-23/h1-14,28H,15-22H2,(H,30,33)/t28-/m1/s1
InChIKey
DDOSMJUNOUTSHF-MUUNZHRXSA-N
Compound name
N-benzyl-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

477.2183 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.22558 216.4
[M+Na]+ 500.20752 217.1
[M-H]- 476.21102 223.3
[M+NH4]+ 495.25212 219.9
[M+K]+ 516.18146 209.4
[M+H-H2O]+ 460.21556 202.7
[M+HCOO]- 522.21650 226.2
[M+CH3COO]- 536.23215 221.1
[M+Na-2H]- 498.19297 215.5
[M]+ 477.21775 214.6
[M]- 477.21885 214.6
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

patents stripe