CID 200504

Fc 666

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)OC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C14H19ClN2O2/c1-11-4-3-5-12(15)14(11)19-13(18)10-17-8-6-16(2)7-9-17/h3-5H,6-10H2,1-2H3
InChIKey
PJILQNFWDRBNIX-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl) 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 164.3
[M+Na]+ 305.102718 171.3
[M-H]- 281.106224 167.5
[M+NH4]+ 300.147323 178.3
[M+K]+ 321.076658 167.0
[M+H-H2O]+ 265.110760 155.9
[M+HCOO]- 327.111701 176.6
[M+CH3COO]- 341.127351 199.0
[M+Na-2H]- 303.088166 165.6
[M]+ 282.11295142 164.7
[M]- 282.11404858 164.7
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.