CID 6474847

N-[(e)-cinnamyl]-2-[(4-methylpiperazin-1-yl)methyl]aniline

Structural Information

Molecular Formula
C21H27N3
SMILES
CN1CCN(CC1)CC2=CC=CC=C2NC/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H27N3/c1-23-14-16-24(17-15-23)18-20-11-5-6-12-21(20)22-13-7-10-19-8-3-2-4-9-19/h2-12,22H,13-18H2,1H3/b10-7+
InChIKey
AUXOWOLBKIOVNG-JXMROGBWSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-N-[(E)-3-phenylprop-2-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 180.9
[M+Na]+ 344.20972 184.0
[M-H]- 320.21322 185.9
[M+NH4]+ 339.25432 191.2
[M+K]+ 360.18366 177.0
[M+H-H2O]+ 304.21776 169.2
[M+HCOO]- 366.21870 198.3
[M+CH3COO]- 380.23435 188.9
[M+Na-2H]- 342.19517 183.7
[M]+ 321.21995 175.5
[M]- 321.22105 175.5
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.