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]+ 374.222696 192.5
[M+Na]+ 396.204638 195.8
[M-H]- 372.208144 200.7
[M+NH4]+ 391.249243 200.1
[M+K]+ 412.178578 188.8
[M+H-H2O]+ 356.212680 179.2
[M+HCOO]- 418.213621 209.9
[M+CH3COO]- 432.229271 200.0
[M+Na-2H]- 394.190086 195.4
[M]+ 373.21487142 187.8
[M]- 373.21596858 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.