CID 57662641

Piperazine derivative 1

Structural Information

Molecular Formula
C24H27Cl2N5O3
SMILES
C1CN([C@@H](CN1CCN2C=C(N=C2)C(=O)N)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)OCCO)Cl
InChI
InChI=1S/C24H27Cl2N5O3/c25-18-3-1-17(2-4-18)23-15-29(7-8-30-14-21(24(27)33)28-16-30)9-10-31(23)22-6-5-19(13-20(22)26)34-12-11-32/h1-6,13-14,16,23,32H,7-12,15H2,(H2,27,33)/t23-/m0/s1
InChIKey
LYKRPBPENHGRNR-QHCPKHFHSA-N
Compound name
1-[2-[(3R)-4-[2-chloro-4-(2-hydroxyethoxy)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]ethyl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

503.1491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.15638 218.7
[M+Na]+ 526.13832 232.4
[M+NH4]+ 521.18292 223.4
[M+K]+ 542.11226 226.3
[M-H]- 502.14182 223.3
[M+Na-2H]- 524.12377 225.0
[M]+ 503.14855 222.3
[M]- 503.14965 222.3
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