CID 479125

3-(4-methylpiperazin-1-yl)-n-[(4-phenylphenyl)methyl]aniline

Structural Information

Molecular Formula
C24H27N3
SMILES
CN1CCN(CC1)C2=CC=CC(=C2)NCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3/c1-26-14-16-27(17-15-26)24-9-5-8-23(18-24)25-19-20-10-12-22(13-11-20)21-6-3-2-4-7-21/h2-13,18,25H,14-17,19H2,1H3
InChIKey
ZXBBVZYEFOQMEW-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-N-[(4-phenylphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.2205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 189.4
[M+Na]+ 380.20972 192.9
[M-H]- 356.21322 197.6
[M+NH4]+ 375.25432 197.8
[M+K]+ 396.18366 185.2
[M+H-H2O]+ 340.21776 176.4
[M+HCOO]- 402.21870 206.6
[M+CH3COO]- 416.23435 197.2
[M+Na-2H]- 378.19517 192.3
[M]+ 357.21995 183.4
[M]- 357.22105 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.