CID 3011052

Schembl7275924

Structural Information

Molecular Formula
C18H22F2N2O
SMILES
C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)N)(F)F)O)N
InChI
InChI=1S/C18H22F2N2O/c19-18(20,16(22)12-14-9-5-2-6-10-14)17(23)15(21)11-13-7-3-1-4-8-13/h1-10,15-17,23H,11-12,21-22H2
InChIKey
OCRVZCTVLJXCAO-UHFFFAOYSA-N
Compound name
2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

320.17 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17728 175.1
[M+Na]+ 343.15922 177.4
[M-H]- 319.16272 175.7
[M+NH4]+ 338.20382 186.6
[M+K]+ 359.13316 172.8
[M+H-H2O]+ 303.16726 165.4
[M+HCOO]- 365.16820 190.9
[M+CH3COO]- 379.18385 210.7
[M+Na-2H]- 341.14467 175.2
[M]+ 320.16945 167.2
[M]- 320.17055 167.2
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