CID 11475873

Schembl5031446

Structural Information

Molecular Formula
C25H24N4O3
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)C(=N)N)OCCCOC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C25H24N4O3/c26-24(27)17-4-9-21(10-5-17)31-13-1-12-30-20-7-2-16(3-8-20)23-15-19-14-18(25(28)29)6-11-22(19)32-23/h2-11,14-15H,1,12-13H2,(H3,26,27)(H3,28,29)
InChIKey
PMZIGLWXWFRCJX-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

428.18484 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.19212 202.8
[M+Na]+ 451.17406 207.6
[M-H]- 427.17756 213.5
[M+NH4]+ 446.21866 211.6
[M+K]+ 467.14800 203.2
[M+H-H2O]+ 411.18210 192.6
[M+HCOO]- 473.18304 227.1
[M+CH3COO]- 487.19869 239.3
[M+Na-2H]- 449.15951 204.8
[M]+ 428.18429 203.3
[M]- 428.18539 203.3
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

patents stripe