CID 9575408

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

Structural Information

Molecular Formula
C34H28N4O7
SMILES
COC1=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=C(C=C5)OC)/N
InChI
InChI=1S/C34H28N4O7/c1-41-25-11-15-27(16-12-25)43-33(39)37-31(35)23-7-3-21(4-8-23)29-19-20-30(45-29)22-5-9-24(10-6-22)32(36)38-34(40)44-28-17-13-26(42-2)14-18-28/h3-20H,1-2H3,(H2,35,37,39)(H2,36,38,40)
InChIKey
QAFXGBFDDAWEFS-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) (NZ)-N-[amino-[4-[5-[4-[(Z)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

604.1958 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.20308 246.2
[M+Na]+ 627.18502 247.2
[M-H]- 603.18852 263.7
[M+NH4]+ 622.22962 246.4
[M+K]+ 643.15896 247.3
[M+H-H2O]+ 587.19306 232.5
[M+HCOO]- 649.19400 269.9
[M+CH3COO]- 663.20965 271.1
[M+Na-2H]- 625.17047 243.2
[M]+ 604.19525 250.0
[M]- 604.19635 250.0
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.