CID 4118323

477333-99-6

Structural Information

Molecular Formula
C19H21Cl2N3O
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)Cl
InChI
InChI=1S/C19H21Cl2N3O/c1-14-5-6-16(12-18(14)21)22-19(25)13-23-7-9-24(10-8-23)17-4-2-3-15(20)11-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKey
WFASQOMVNXCOCC-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11345 188.3
[M+Na]+ 400.09539 203.7
[M+NH4]+ 395.13999 196.3
[M+K]+ 416.06933 194.2
[M-H]- 376.09889 194.1
[M+Na-2H]- 398.08084 196.9
[M]+ 377.10562 192.8
[M]- 377.10672 192.8
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.