CID 3009665

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

Structural Information

Molecular Formula
C20H24F2N4O
SMILES
CC(C)C(=N)CCC=C1C[C@](OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H24F2N4O/c1-14(2)19(23)5-3-4-15-9-20(27-10-15,11-26-13-24-12-25-26)17-7-6-16(21)8-18(17)22/h4,6-8,12-14,23H,3,5,9-11H2,1-2H3/t20-/m0/s1
InChIKey
LOJZXPSZBLHHFC-FQEVSTJZSA-N
Compound name
6-[(5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-ylidene]-2-methylhexan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1918 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19908 188.3
[M+Na]+ 397.18102 194.3
[M-H]- 373.18452 192.2
[M+NH4]+ 392.22562 199.8
[M+K]+ 413.15496 189.5
[M+H-H2O]+ 357.18906 176.9
[M+HCOO]- 419.19000 203.5
[M+CH3COO]- 433.20565 219.1
[M+Na-2H]- 395.16647 184.8
[M]+ 374.19125 185.4
[M]- 374.19235 185.4
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.