CID 24842090

91098-48-5

Structural Information

Molecular Formula
C25H37N3O
SMILES
CCCCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C25H37N3O/c1-3-4-20-29-25-12-10-24(11-13-25)26-22(2)21-28-18-16-27(17-19-28)15-14-23-8-6-5-7-9-23/h5-13,22,26H,3-4,14-21H2,1-2H3
InChIKey
BOSRZPBQAWIEFL-UHFFFAOYSA-N
Compound name
4-butoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.29367 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.30095 202.0
[M+Na]+ 418.28289 202.3
[M-H]- 394.28639 206.2
[M+NH4]+ 413.32749 209.0
[M+K]+ 434.25683 196.3
[M+H-H2O]+ 378.29093 189.3
[M+HCOO]- 440.29187 216.9
[M+CH3COO]- 454.30752 226.9
[M+Na-2H]- 416.26834 201.6
[M]+ 395.29312 199.5
[M]- 395.29422 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.