CID 68608

Transcainide

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2(CCN(CC2)[C@@H]3CCCC[C@H]3O)N(C)C
InChI
InChI=1S/C22H35N3O2/c1-16-8-7-9-17(2)20(16)23-21(27)22(24(3)4)12-14-25(15-13-22)18-10-5-6-11-19(18)26/h7-9,18-19,26H,5-6,10-15H2,1-4H3,(H,23,27)/t18-,19-/m1/s1
InChIKey
MFKCGXDCHAFQQZ-RTBURBONSA-N
Compound name
4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

140
Patents

373.27292 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.280196 193.5
[M+Na]+ 396.262138 194.4
[M-H]- 372.265644 200.0
[M+NH4]+ 391.306743 205.1
[M+K]+ 412.236078 191.4
[M+H-H2O]+ 356.270180 183.8
[M+HCOO]- 418.271121 207.1
[M+CH3COO]- 432.286771 225.5
[M+Na-2H]- 394.247586 191.0
[M]+ 373.27237142 186.1
[M]- 373.27346858 186.1
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