CID 3114

Disopyramide

Structural Information

Molecular Formula
C21H29N3O
SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C
InChI
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
InChIKey
UVTNFZQICZKOEM-UHFFFAOYSA-N
Compound name
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1844
References

18586
Patents

339.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.23833 185.7
[M+Na]+ 362.22027 187.4
[M-H]- 338.22377 190.6
[M+NH4]+ 357.26487 196.7
[M+K]+ 378.19421 184.8
[M+H-H2O]+ 322.22831 176.1
[M+HCOO]- 384.22925 204.1
[M+CH3COO]- 398.24490 222.3
[M+Na-2H]- 360.20572 186.6
[M]+ 339.23050 184.9
[M]- 339.23160 184.9
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