CID 3061262

Brn 4586857

Structural Information

Molecular Formula
C25H29N3O
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC=CC=C4OC
InChI
InChI=1S/C25H29N3O/c1-20-7-11-23(12-8-20)27-15-17-28(18-16-27)24-13-9-22(10-14-24)26-19-21-5-3-4-6-25(21)29-2/h3-14,26H,15-19H2,1-2H3
InChIKey
BEDPPAHQISQMOW-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-4-[4-(4-methylphenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.23105 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23833 200.1
[M+Na]+ 410.22027 216.2
[M+NH4]+ 405.26487 208.2
[M+K]+ 426.19421 205.6
[M-H]- 386.22377 209.2
[M+Na-2H]- 408.20572 211.6
[M]+ 387.23050 205.1
[M]- 387.23160 205.1
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.