CID 54657

80785-17-7

Structural Information

Molecular Formula
C27H32FN3O
SMILES
CC(C)N(CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)F)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H32FN3O/c1-20(2)31(21(3)4)18-19-32-26-16-14-25(15-17-26)30-27(22-8-6-5-7-9-22)29-24-12-10-23(28)11-13-24/h5-17,20-21H,18-19H2,1-4H3,(H,29,30)
InChIKey
NRYLHBMQGSHPDF-UHFFFAOYSA-N
Compound name
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N'-(4-fluorophenyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.25293 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26021 211.0
[M+Na]+ 456.24215 212.2
[M-H]- 432.24565 220.3
[M+NH4]+ 451.28675 219.8
[M+K]+ 472.21609 208.4
[M+H-H2O]+ 416.25019 198.3
[M+HCOO]- 478.25113 233.3
[M+CH3COO]- 492.26678 244.5
[M+Na-2H]- 454.22760 209.8
[M]+ 433.25238 211.2
[M]- 433.25348 211.2
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

No patent data available for this compound.