CID 3009667

3-hexanimine, 6-[(5r)-5-(2,4-difluorophenyl)dihydro-5-(1h-imidazol-1-ylmethyl)-3(2h)-furanylidene]-2-methyl-, (6z)-

Structural Information

Molecular Formula
C21H25F2N3O
SMILES
CC(C)C(=N)CCC=C1C[C@](OC1)(CN2C=CN=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C21H25F2N3O/c1-15(2)20(24)5-3-4-16-11-21(27-12-16,13-26-9-8-25-14-26)18-7-6-17(22)10-19(18)23/h4,6-10,14-15,24H,3,5,11-13H2,1-2H3/t21-/m0/s1
InChIKey
UUYJTDYFXYVZMD-NRFANRHFSA-N
Compound name
6-[(5R)-5-(2,4-difluorophenyl)-5-(imidazol-1-ylmethyl)oxolan-3-ylidene]-2-methylhexan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.19656 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20384 189.4
[M+Na]+ 396.18578 195.0
[M-H]- 372.18928 194.4
[M+NH4]+ 391.23038 202.4
[M+K]+ 412.15972 190.1
[M+H-H2O]+ 356.19382 178.9
[M+HCOO]- 418.19476 205.5
[M+CH3COO]- 432.21041 219.4
[M+Na-2H]- 394.17123 185.5
[M]+ 373.19601 186.3
[M]- 373.19711 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

literature stripe

Patent stripe

No patent data available for this compound.