CID 6726

Cyclizine

Structural Information

Molecular Formula
C18H22N2
SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKey
UVKZSORBKUEBAZ-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

362
References

20974
Patents

266.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 164.9
[M+Na]+ 289.16750 168.5
[M-H]- 265.17100 170.2
[M+NH4]+ 284.21210 177.5
[M+K]+ 305.14144 163.5
[M+H-H2O]+ 249.17554 154.0
[M+HCOO]- 311.17648 181.1
[M+CH3COO]- 325.19213 174.3
[M+Na-2H]- 287.15295 168.3
[M]+ 266.17773 158.9
[M]- 266.17883 158.9
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.