CID 6435282

2-(2-(4-(4-(aminoiminomethyl)phenoxy)phenyl)ethenyl)-5-benzofurancarboximidamide

Structural Information

Molecular Formula
C24H20N4O2
SMILES
C1=CC(=CC=C1/C=C/C2=CC3=C(O2)C=CC(=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C24H20N4O2/c25-23(26)16-4-10-20(11-5-16)29-19-7-1-15(2-8-19)3-9-21-14-18-13-17(24(27)28)6-12-22(18)30-21/h1-14H,(H3,25,26)(H3,27,28)/b9-3+
InChIKey
LDDCTTPIKQVZJJ-YCRREMRBSA-N
Compound name
2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

396.15863 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16591 196.0
[M+Na]+ 419.14785 202.0
[M-H]- 395.15135 207.0
[M+NH4]+ 414.19245 206.3
[M+K]+ 435.12179 196.3
[M+H-H2O]+ 379.15589 186.4
[M+HCOO]- 441.15683 220.8
[M+CH3COO]- 455.17248 205.4
[M+Na-2H]- 417.13330 198.2
[M]+ 396.15808 194.2
[M]- 396.15918 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.