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 192.5
[M+Na]+ 396.20464 195.8
[M-H]- 372.20814 200.7
[M+NH4]+ 391.24924 200.1
[M+K]+ 412.17858 188.8
[M+H-H2O]+ 356.21268 179.2
[M+HCOO]- 418.21362 209.9
[M+CH3COO]- 432.22927 200.0
[M+Na-2H]- 394.19009 195.4
[M]+ 373.21487 187.8
[M]- 373.21597 187.8
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.