CID 9575403

Chembl337508

Structural Information

Molecular Formula
C24H24N4O7
SMILES
CCOC(=O)O/N=C(\N)/C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)/C(=N/OC(=O)OCC)/N
InChI
InChI=1S/C24H24N4O7/c1-3-31-23(29)34-27-21(25)17-9-5-15(6-10-17)19-13-14-20(33-19)16-7-11-18(12-8-16)22(26)28-35-24(30)32-4-2/h5-14H,3-4H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKey
NGCNSGHAJPIIPO-UHFFFAOYSA-N
Compound name
[(Z)-[amino-[4-[5-[4-[(Z)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.1645 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.17178 215.3
[M+Na]+ 503.15372 217.4
[M-H]- 479.15722 227.3
[M+NH4]+ 498.19832 221.8
[M+K]+ 519.12766 218.5
[M+H-H2O]+ 463.16176 204.0
[M+HCOO]- 525.16270 241.1
[M+CH3COO]- 539.17835 247.6
[M+Na-2H]- 501.13917 213.8
[M]+ 480.16395 220.6
[M]- 480.16505 220.6
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.