CID 113953

63867-06-1

Structural Information

Molecular Formula
C16H23ClN2O
SMILES
CN1CCN(CC1)C2CCCC3=C(C=CC(=C23)OC)Cl
InChI
InChI=1S/C16H23ClN2O/c1-18-8-10-19(11-9-18)14-5-3-4-12-13(17)6-7-15(20-2)16(12)14/h6-7,14H,3-5,8-11H2,1-2H3
InChIKey
CIYUWPIOORKHFK-UHFFFAOYSA-N
Compound name
1-(5-chloro-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1499 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15718 170.8
[M+Na]+ 317.13912 177.1
[M-H]- 293.14262 174.1
[M+NH4]+ 312.18372 185.3
[M+K]+ 333.11306 171.6
[M+H-H2O]+ 277.14716 161.7
[M+HCOO]- 339.14810 179.8
[M+CH3COO]- 353.16375 180.2
[M+Na-2H]- 315.12457 172.2
[M]+ 294.14935 168.0
[M]- 294.15045 168.0
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.