CID 3330915

763130-55-8

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O/c1-3-18(2)19-9-11-20(12-10-19)23-22(26)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)
InChIKey
KORSUOPDIWLTEK-UHFFFAOYSA-N
Compound name
N-(4-butan-2-ylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.5
[M+Na]+ 374.22027 190.3
[M-H]- 350.22377 193.6
[M+NH4]+ 369.26487 197.3
[M+K]+ 390.19421 185.0
[M+H-H2O]+ 334.22831 176.9
[M+HCOO]- 396.22925 203.8
[M+CH3COO]- 410.24490 217.6
[M+Na-2H]- 372.20572 188.6
[M]+ 351.23050 183.7
[M]- 351.23160 183.7
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.