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 189.1
[M+Na]+ 375.21554 192.8
[M-H]- 351.21904 194.7
[M+NH4]+ 370.26014 198.1
[M+K]+ 391.18948 186.9
[M+H-H2O]+ 335.22358 177.8
[M+HCOO]- 397.22452 206.2
[M+CH3COO]- 411.24017 220.9
[M+Na-2H]- 373.20099 189.0
[M]+ 352.22577 183.9
[M]- 352.22687 183.9
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.