CID 9842252

Vapitadine

Structural Information

Molecular Formula
C17H20N4O
SMILES
C1CN2C(=CN=C2C3(CCNCC3)C4=CC=CC=C41)C(=O)N
InChI
InChI=1S/C17H20N4O/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16/h1-4,11,19H,5-10H2,(H2,18,22)
InChIKey
VQWGYPVNVICKFC-UHFFFAOYSA-N
Compound name
spiro[5,6-dihydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

215
Patents

296.1637 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 170.3
[M+Na]+ 319.15292 176.1
[M-H]- 295.15642 173.0
[M+NH4]+ 314.19752 185.2
[M+K]+ 335.12686 172.8
[M+H-H2O]+ 279.16096 160.4
[M+HCOO]- 341.16190 182.5
[M+CH3COO]- 355.17755 178.6
[M+Na-2H]- 317.13837 173.5
[M]+ 296.16315 160.7
[M]- 296.16425 160.7
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