CID 9575406

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

Structural Information

Molecular Formula
C32H24N4O5
SMILES
C1=CC=C(C=C1)OC(=O)/N=C(\N)/C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)/C(=N/C(=O)OC5=CC=CC=C5)/N
InChI
InChI=1S/C32H24N4O5/c33-29(35-31(37)39-25-7-3-1-4-8-25)23-15-11-21(12-16-23)27-19-20-28(41-27)22-13-17-24(18-14-22)30(34)36-32(38)40-26-9-5-2-6-10-26/h1-20H,(H2,33,35,37)(H2,34,36,38)
InChIKey
ZSOSLTAQKRNSQG-UHFFFAOYSA-N
Compound name
phenyl (NZ)-N-[amino-[4-[5-[4-[(Z)-N'-phenoxycarbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.1747 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.18198 231.6
[M+Na]+ 567.16392 232.7
[M-H]- 543.16742 248.8
[M+NH4]+ 562.20852 234.1
[M+K]+ 583.13786 230.8
[M+H-H2O]+ 527.17196 218.6
[M+HCOO]- 589.17290 256.0
[M+CH3COO]- 603.18855 258.3
[M+Na-2H]- 565.14937 230.4
[M]+ 544.17415 231.5
[M]- 544.17525 231.5
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.