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]+ 283.12078 164.3
[M+Na]+ 305.10272 171.3
[M-H]- 281.10622 167.5
[M+NH4]+ 300.14732 178.3
[M+K]+ 321.07666 167.0
[M+H-H2O]+ 265.11076 155.9
[M+HCOO]- 327.11170 176.6
[M+CH3COO]- 341.12735 199.0
[M+Na-2H]- 303.08817 165.6
[M]+ 282.11295 164.7
[M]- 282.11405 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.