CID 3642107

477333-98-5

Structural Information

Molecular Formula
C18H21ClN4O
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)Cl
InChI
InChI=1S/C18H21ClN4O/c1-14-5-6-15(12-16(14)19)21-18(24)13-22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKey
RINKKBGOUNGMAZ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14038 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14766 182.3
[M+Na]+ 367.12960 187.8
[M-H]- 343.13310 186.7
[M+NH4]+ 362.17420 191.3
[M+K]+ 383.10354 181.1
[M+H-H2O]+ 327.13764 170.8
[M+HCOO]- 389.13858 193.8
[M+CH3COO]- 403.15423 190.4
[M+Na-2H]- 365.11505 184.4
[M]+ 344.13983 179.9
[M]- 344.14093 179.9
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.