CID 57380646

Chembl1962890

Structural Information

Molecular Formula
C21H28N4
SMILES
CCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)N
InChI
InChI=1S/C21H28N4/c1-2-3-13-23-21(22)18-9-11-20(12-10-18)25-16-14-24(15-17-25)19-7-5-4-6-8-19/h4-12H,2-3,13-17H2,1H3,(H2,22,23)
InChIKey
MGCIPBLTSUWSTK-UHFFFAOYSA-N
Compound name
N'-butyl-4-(4-phenylpiperazin-1-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.23138 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23866 184.4
[M+Na]+ 359.22060 186.8
[M-H]- 335.22410 190.4
[M+NH4]+ 354.26520 194.2
[M+K]+ 375.19454 180.9
[M+H-H2O]+ 319.22864 172.4
[M+HCOO]- 381.22958 202.8
[M+CH3COO]- 395.24523 218.6
[M+Na-2H]- 357.20605 186.2
[M]+ 336.23083 178.8
[M]- 336.23193 178.8
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.