CID 3068307

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

Structural Information

Molecular Formula
C17H21Cl2N3O2
SMILES
C1CC(OC1)CNCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C17H21Cl2N3O2/c18-13-3-4-15(16(19)8-13)17(23,11-22-6-5-20-12-22)10-21-9-14-2-1-7-24-14/h3-6,8,12,14,21,23H,1-2,7,9-11H2
InChIKey
XPBZOXRJAMOCEF-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(oxolan-2-ylmethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.10107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10835 187.5
[M+Na]+ 392.09029 193.4
[M-H]- 368.09379 192.8
[M+NH4]+ 387.13489 199.2
[M+K]+ 408.06423 187.8
[M+H-H2O]+ 352.09833 178.9
[M+HCOO]- 414.09927 195.6
[M+CH3COO]- 428.11492 209.9
[M+Na-2H]- 390.07574 187.6
[M]+ 369.10052 189.1
[M]- 369.10162 189.1
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

patents stripe