CID 5896977

Nsc641615

Structural Information

Molecular Formula
C25H23N3O5
SMILES
COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)/C(=N\NC(=O)N)/C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H23N3O5/c1-31-17-11-7-15(8-12-17)21(22-19-5-3-4-6-20(19)33-24(22)29)23(27-28-25(26)30)16-9-13-18(32-2)14-10-16/h3-14,21-22H,1-2H3,(H3,26,28,30)/b27-23-
InChIKey
FCULCYWBAAIFKT-VYIQYICTSA-N
Compound name
[(E)-[1,2-bis(4-methoxyphenyl)-2-(2-oxo-3H-1-benzofuran-3-yl)ethylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16376 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 206.5
[M+Na]+ 468.15298 210.1
[M-H]- 444.15648 218.3
[M+NH4]+ 463.19758 215.4
[M+K]+ 484.12692 208.5
[M+H-H2O]+ 428.16102 196.3
[M+HCOO]- 490.16196 228.6
[M+CH3COO]- 504.17761 240.8
[M+Na-2H]- 466.13843 206.5
[M]+ 445.16321 208.7
[M]- 445.16431 208.7
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.