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

21085
Patents

266.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.185556 164.9
[M+Na]+ 289.167498 168.5
[M-H]- 265.171004 170.2
[M+NH4]+ 284.212103 177.5
[M+K]+ 305.141438 163.5
[M+H-H2O]+ 249.175540 154.0
[M+HCOO]- 311.176481 181.1
[M+CH3COO]- 325.192131 174.3
[M+Na-2H]- 287.152946 168.3
[M]+ 266.17773142 158.9
[M]- 266.17882858 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