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 193.4
[M+Na]+ 390.25158 194.7
[M-H]- 366.25508 198.1
[M+NH4]+ 385.29618 201.6
[M+K]+ 406.22552 189.1
[M+H-H2O]+ 350.25962 181.2
[M+HCOO]- 412.26056 209.1
[M+CH3COO]- 426.27621 221.0
[M+Na-2H]- 388.23703 194.1
[M]+ 367.26181 190.3
[M]- 367.26291 190.3
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.