CID 38326

Brn 0833232

Structural Information

Molecular Formula
C21H28N4O
SMILES
CC1=CC(=CC(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=C3)C)N
InChI
InChI=1S/C21H28N4O/c1-16-14-18(22)15-17(2)20(16)21(26)23-8-9-24-10-12-25(13-11-24)19-6-4-3-5-7-19/h3-7,14-15H,8-13,22H2,1-2H3,(H,23,26)
InChIKey
BMEVMARVSWWZJM-UHFFFAOYSA-N
Compound name
4-amino-2,6-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23360 189.4
[M+Na]+ 375.21554 201.4
[M+NH4]+ 370.26014 196.0
[M+K]+ 391.18948 193.8
[M-H]- 351.21904 195.4
[M+Na-2H]- 373.20099 196.8
[M]+ 352.22577 192.6
[M]- 352.22687 192.6
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.