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 188.2
[M+Na]+ 400.09539 194.7
[M-H]- 376.09889 193.4
[M+NH4]+ 395.13999 198.2
[M+K]+ 416.06933 187.1
[M+H-H2O]+ 360.10343 178.2
[M+HCOO]- 422.10437 195.8
[M+CH3COO]- 436.12002 196.3
[M+Na-2H]- 398.08084 188.2
[M]+ 377.10562 187.6
[M]- 377.10672 187.6
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.