CID 24842097

91098-46-3

Structural Information

Molecular Formula
C24H35N3O
SMILES
CCCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C24H35N3O/c1-3-19-28-24-11-9-23(10-12-24)25-21(2)20-27-17-15-26(16-18-27)14-13-22-7-5-4-6-8-22/h4-12,21,25H,3,13-20H2,1-2H3
InChIKey
WMWKWTNBTQMPLC-UHFFFAOYSA-N
Compound name
N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.278 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.28528 197.7
[M+Na]+ 404.26722 198.5
[M-H]- 380.27072 202.2
[M+NH4]+ 399.31182 205.3
[M+K]+ 420.24116 192.7
[M+H-H2O]+ 364.27526 185.3
[M+HCOO]- 426.27620 213.0
[M+CH3COO]- 440.29185 223.9
[M+Na-2H]- 402.25267 197.8
[M]+ 381.27745 194.9
[M]- 381.27855 194.9
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.