CID 499899

N-[(4-tert-butylphenyl)methyl]-3-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C22H31N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC2=CC(=CC=C2)N3CCN(CC3)C
InChI
InChI=1S/C22H31N3/c1-22(2,3)19-10-8-18(9-11-19)17-23-20-6-5-7-21(16-20)25-14-12-24(4)13-15-25/h5-11,16,23H,12-15,17H2,1-4H3
InChIKey
UJKPEWMXUVVNFM-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-3-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.2518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.25908 187.4
[M+Na]+ 360.24102 191.1
[M-H]- 336.24452 193.1
[M+NH4]+ 355.28562 197.7
[M+K]+ 376.21496 185.2
[M+H-H2O]+ 320.24906 176.4
[M+HCOO]- 382.25000 202.7
[M+CH3COO]- 396.26565 216.2
[M+Na-2H]- 358.22647 189.7
[M]+ 337.25125 183.1
[M]- 337.25235 183.1
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.