CID 11477180

Pg-01037

Structural Information

Molecular Formula
C26H26Cl2N4O
SMILES
C1CN(CCN1C/C=C/CNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)C4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+
InChIKey
ZMYOIZHRXABMFZ-ONEGZZNKSA-N
Compound name
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

4
Patents

480.14838 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15566 217.6
[M+Na]+ 503.13760 234.2
[M+NH4]+ 498.18220 224.4
[M+K]+ 519.11154 222.7
[M-H]- 479.14110 224.8
[M+Na-2H]- 501.12305 227.6
[M]+ 480.14783 222.7
[M]- 480.14893 222.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe