CID 40026

Bucainide

Structural Information

Molecular Formula
C21H35N3
SMILES
CCCCCCN1CCN(CC1)C(=NCC(C)C)C2=CC=CC=C2
InChI
InChI=1S/C21H35N3/c1-4-5-6-10-13-23-14-16-24(17-15-23)21(22-18-19(2)3)20-11-8-7-9-12-20/h7-9,11-12,19H,4-6,10,13-18H2,1-3H3
InChIKey
WRNQYBXJRPAGNS-UHFFFAOYSA-N
Compound name
1-(4-hexylpiperazin-1-yl)-N-(2-methylpropyl)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

245
Patents

329.2831 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.290376 187.8
[M+Na]+ 352.272318 188.6
[M-H]- 328.275824 190.5
[M+NH4]+ 347.316923 198.8
[M+K]+ 368.246258 184.4
[M+H-H2O]+ 312.280360 176.8
[M+HCOO]- 374.281301 203.5
[M+CH3COO]- 388.296951 217.4
[M+Na-2H]- 350.257766 186.9
[M]+ 329.28255142 185.4
[M]- 329.28364858 185.4
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

patents stripe