CID 24842094

91098-44-1

Structural Information

Molecular Formula
C23H33N3O
SMILES
CCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C23H33N3O/c1-3-27-23-11-9-22(10-12-23)24-20(2)19-26-17-15-25(16-18-26)14-13-21-7-5-4-6-8-21/h4-12,20,24H,3,13-19H2,1-2H3
InChIKey
AMRCDBKOGPKWMY-UHFFFAOYSA-N
Compound name
4-ethoxy-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

367.26236 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 195.3
[M+Na]+ 390.25158 207.7
[M+NH4]+ 385.29618 202.5
[M+K]+ 406.22552 198.6
[M-H]- 366.25508 201.3
[M+Na-2H]- 388.23703 203.5
[M]+ 367.26181 198.7
[M]- 367.26291 198.7
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.