CID 3040742

Brn 0858336

Structural Information

Molecular Formula
C27H31N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H31N3O2/c1-32-26-16-9-8-15-25(26)29-21-19-28(20-22-29)18-10-17-27(31)30(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16H,10,17-22H2,1H3
InChIKey
BUQGMSXUYDLZLO-UHFFFAOYSA-N
Compound name
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.24164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24892 207.1
[M+Na]+ 452.23086 207.9
[M-H]- 428.23436 215.8
[M+NH4]+ 447.27546 212.3
[M+K]+ 468.20480 202.4
[M+H-H2O]+ 412.23890 192.9
[M+HCOO]- 474.23984 223.2
[M+CH3COO]- 488.25549 213.2
[M+Na-2H]- 450.21631 207.4
[M]+ 429.24109 204.1
[M]- 429.24219 204.1
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.