CID 160410

Ciclopramine

Structural Information

Molecular Formula
C18H20N2
SMILES
CNC1CCN2C3=CC=CC=C3CCC4=C2C1=CC=C4
InChI
InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3
InChIKey
AEOOLRRTECSMIN-UHFFFAOYSA-N
Compound name
N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

264.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 160.9
[M+Na]+ 287.151878 167.0
[M-H]- 263.155384 165.9
[M+NH4]+ 282.196483 178.5
[M+K]+ 303.125818 164.7
[M+H-H2O]+ 247.159920 154.4
[M+HCOO]- 309.160861 177.2
[M+CH3COO]- 323.176511 171.3
[M+Na-2H]- 285.137326 168.8
[M]+ 264.16211142 156.0
[M]- 264.16320858 156.0
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