CID 56006

89767-70-4

Structural Information

Molecular Formula
C26H26ClN3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C26H26ClN3O4/c1-33-23-12-5-19(17-24(23)34-2)25(31)28-21-8-3-18(4-9-21)26(32)30-15-13-29(14-16-30)22-10-6-20(27)7-11-22/h3-12,17H,13-16H2,1-2H3,(H,28,31)
InChIKey
KMCDLTCRNAZXQC-UHFFFAOYSA-N
Compound name
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1612 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16848 214.6
[M+Na]+ 502.15042 218.9
[M-H]- 478.15392 223.5
[M+NH4]+ 497.19502 218.8
[M+K]+ 518.12436 213.0
[M+H-H2O]+ 462.15846 201.8
[M+HCOO]- 524.15940 225.7
[M+CH3COO]- 538.17505 237.8
[M+Na-2H]- 500.13587 212.8
[M]+ 479.16065 215.6
[M]- 479.16175 215.6
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.