CID 3068309

2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-3-(n-methylpiperazino)-2-propanol oxalate

Structural Information

Molecular Formula
C17H22Cl2N4O
SMILES
CN1CCN(CC1)CC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H22Cl2N4O/c1-21-6-8-22(9-7-21)11-17(24,12-23-5-4-20-13-23)15-3-2-14(18)10-16(15)19/h2-5,10,13,24H,6-9,11-12H2,1H3
InChIKey
OILYKYLFTQRHAC-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11707 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12435 187.3
[M+Na]+ 391.10629 194.0
[M-H]- 367.10979 188.8
[M+NH4]+ 386.15089 196.1
[M+K]+ 407.08023 186.6
[M+H-H2O]+ 351.11433 176.2
[M+HCOO]- 413.11527 189.9
[M+CH3COO]- 427.13092 194.5
[M+Na-2H]- 389.09174 186.8
[M]+ 368.11652 186.3
[M]- 368.11762 186.3
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.