CID 3009669

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

Structural Information

Molecular Formula
C22H26F2N2O
SMILES
CC(C)C(=N)CCC=C1C[C@](OC1)(CN2C=CC=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C22H26F2N2O/c1-16(2)21(25)7-5-6-17-13-22(27-14-17,15-26-10-3-4-11-26)19-9-8-18(23)12-20(19)24/h3-4,6,8-12,16,25H,5,7,13-15H2,1-2H3/t22-/m0/s1
InChIKey
RMGXQPNYTXVLJH-QFIPXVFZSA-N
Compound name
6-[(5R)-5-(2,4-difluorophenyl)-5-(pyrrol-1-ylmethyl)oxolan-3-ylidene]-2-methylhexan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.20132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20860 190.6
[M+Na]+ 395.19054 195.8
[M-H]- 371.19404 196.8
[M+NH4]+ 390.23514 205.0
[M+K]+ 411.16448 190.8
[M+H-H2O]+ 355.19858 181.0
[M+HCOO]- 417.19952 207.7
[M+CH3COO]- 431.21517 219.7
[M+Na-2H]- 393.17599 186.3
[M]+ 372.20077 187.2
[M]- 372.20187 187.2
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.