CID 3061255

Brn 4577018

Structural Information

Molecular Formula
C24H27N3O
SMILES
COC1=CC=CC=C1CNC2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O/c1-28-24-10-6-5-7-20(24)19-25-21-11-13-23(14-12-21)27-17-15-26(16-18-27)22-8-3-2-4-9-22/h2-14,25H,15-19H2,1H3
InChIKey
SYALMNJCQJHPFL-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-4-(4-phenylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 195.5
[M+Na]+ 396.20464 211.4
[M+NH4]+ 391.24924 203.8
[M+K]+ 412.17858 200.9
[M-H]- 372.20814 204.5
[M+Na-2H]- 394.19009 207.5
[M]+ 373.21487 200.5
[M]- 373.21597 200.5
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.