CID 3068299

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

Structural Information

Molecular Formula
C18H23Cl2N3O
SMILES
C1CCC(CC1)NCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H23Cl2N3O/c19-14-6-7-16(17(20)10-14)18(24,12-23-9-8-21-13-23)11-22-15-4-2-1-3-5-15/h6-10,13,15,22,24H,1-5,11-12H2
InChIKey
VBOTYKPFWNYSIU-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.12183 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12911 187.0
[M+Na]+ 390.11105 191.8
[M-H]- 366.11455 190.8
[M+NH4]+ 385.15565 198.2
[M+K]+ 406.08499 184.2
[M+H-H2O]+ 350.11909 177.6
[M+HCOO]- 412.12003 193.4
[M+CH3COO]- 426.13568 194.6
[M+Na-2H]- 388.09650 187.7
[M]+ 367.12128 184.9
[M]- 367.12238 184.9
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.