CID 2710

Chlorcyclizine

Structural Information

Molecular Formula
C18H21ClN2
SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
InChIKey
WFNAKBGANONZEQ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

805
References

7149
Patents

300.1393 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14658 171.4
[M+Na]+ 323.12852 176.7
[M-H]- 299.13202 176.7
[M+NH4]+ 318.17312 183.7
[M+K]+ 339.10246 170.1
[M+H-H2O]+ 283.13656 160.9
[M+HCOO]- 345.13750 182.9
[M+CH3COO]- 359.15315 180.6
[M+Na-2H]- 321.11397 173.5
[M]+ 300.13875 168.1
[M]- 300.13985 168.1
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.