CID 3040699

Brn 0857329

Structural Information

Molecular Formula
C26H29N3O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29N3O2/c1-31-25-14-12-22(13-15-25)27-18-20-28(21-19-27)26(30)16-17-29(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15H,16-21H2,1H3
InChIKey
FSRYOEQMSQZSOP-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23326 202.8
[M+Na]+ 438.21520 204.1
[M-H]- 414.21870 211.8
[M+NH4]+ 433.25980 208.6
[M+K]+ 454.18914 198.8
[M+H-H2O]+ 398.22324 188.8
[M+HCOO]- 460.22418 219.3
[M+CH3COO]- 474.23983 209.4
[M+Na-2H]- 436.20065 203.7
[M]+ 415.22543 199.5
[M]- 415.22653 199.5
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.