CID 4522822

477333-97-4

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C19H22ClN3O/c1-15-7-8-16(13-18(15)20)21-19(24)14-22-9-11-23(12-10-22)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey
YSJHITPIGQKZJI-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14514 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15242 182.5
[M+Na]+ 366.13436 187.7
[M-H]- 342.13786 188.2
[M+NH4]+ 361.17896 193.0
[M+K]+ 382.10830 180.9
[M+H-H2O]+ 326.14240 171.8
[M+HCOO]- 388.14334 195.2
[M+CH3COO]- 402.15899 191.1
[M+Na-2H]- 364.11981 183.9
[M]+ 343.14459 180.0
[M]- 343.14569 180.0
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.