CID 9575407

2,5-bis[4-(n-(4-fluorophenoxy)carbonyloxyamidino)phenyl]furan

Structural Information

Molecular Formula
C32H22F2N4O5
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/C(=O)OC4=CC=C(C=C4)F)/N)/C(=N/C(=O)OC5=CC=C(C=C5)F)/N
InChI
InChI=1S/C32H22F2N4O5/c33-23-9-13-25(14-10-23)41-31(39)37-29(35)21-5-1-19(2-6-21)27-17-18-28(43-27)20-3-7-22(8-4-20)30(36)38-32(40)42-26-15-11-24(34)12-16-26/h1-18H,(H2,35,37,39)(H2,36,38,40)
InChIKey
QLTJIJTXSCYAQP-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) (NZ)-N-[amino-[4-[5-[4-[(Z)-N'-(4-fluorophenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.1558 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.16308 240.7
[M+Na]+ 603.14502 243.7
[M-H]- 579.14852 255.9
[M+NH4]+ 598.18962 242.2
[M+K]+ 619.11896 240.9
[M+H-H2O]+ 563.15306 225.9
[M+HCOO]- 625.15400 262.9
[M+CH3COO]- 639.16965 265.9
[M+Na-2H]- 601.13047 236.7
[M]+ 580.15525 239.7
[M]- 580.15635 239.7
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.