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]+ 388.238326 197.9
[M+Na]+ 410.220268 201.6
[M-H]- 386.223774 206.3
[M+NH4]+ 405.264873 205.2
[M+K]+ 426.194208 194.5
[M+H-H2O]+ 370.228310 184.5
[M+HCOO]- 432.229251 214.9
[M+CH3COO]- 446.244901 205.3
[M+Na-2H]- 408.205716 199.4
[M]+ 387.23050142 193.9
[M]- 387.23159858 193.9
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.