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

20009
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

literature stripe

Patent stripe

patents stripe