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

40
Patents

264.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 160.9
[M+Na]+ 287.15188 167.0
[M-H]- 263.15538 165.9
[M+NH4]+ 282.19648 178.5
[M+K]+ 303.12582 164.7
[M+H-H2O]+ 247.15992 154.4
[M+HCOO]- 309.16086 177.2
[M+CH3COO]- 323.17651 171.3
[M+Na-2H]- 285.13733 168.8
[M]+ 264.16211 156.0
[M]- 264.16321 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.