CID 56003

89767-62-4

Structural Information

Molecular Formula
C26H27N3O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H27N3O4/c1-32-23-13-10-20(18-24(23)33-2)25(30)27-21-11-8-19(9-12-21)26(31)29-16-14-28(15-17-29)22-6-4-3-5-7-22/h3-13,18H,14-17H2,1-2H3,(H,27,30)
InChIKey
KUNWWAJUZOHVJB-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.20016 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.20744 208.5
[M+Na]+ 468.18938 211.1
[M-H]- 444.19288 217.2
[M+NH4]+ 463.23398 212.8
[M+K]+ 484.16332 206.3
[M+H-H2O]+ 428.19742 195.0
[M+HCOO]- 490.19836 224.0
[M+CH3COO]- 504.21401 233.2
[M+Na-2H]- 466.17483 207.8
[M]+ 445.19961 206.4
[M]- 445.20071 206.4
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.