CID 499900

[2-(4-methylpiperazinyl)phenyl](naphthylmethyl)amine

Structural Information

Molecular Formula
C22H25N3
SMILES
CN1CCN(CC1)C2=CC=CC=C2NCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H25N3/c1-24-13-15-25(16-14-24)22-12-5-4-11-21(22)23-17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12,23H,13-17H2,1H3
InChIKey
GZOQHNQSGMNNCD-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.20483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 181.6
[M+Na]+ 354.19405 186.1
[M-H]- 330.19755 187.9
[M+NH4]+ 349.23865 192.5
[M+K]+ 370.16799 178.8
[M+H-H2O]+ 314.20209 169.6
[M+HCOO]- 376.20303 198.0
[M+CH3COO]- 390.21868 190.0
[M+Na-2H]- 352.17950 186.1
[M]+ 331.20428 176.3
[M]- 331.20538 176.3
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.