CID 5478773

2,2'-(1,2-ethenediyl)bis(3-methyl-5-benzofurancarboximidamide)

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CC1=C(OC2=C1C=C(C=C2)C(=N)N)/C=C/C3=C(C4=C(O3)C=CC(=C4)C(=N)N)C
InChI
InChI=1S/C22H20N4O2/c1-11-15-9-13(21(23)24)3-5-19(15)27-17(11)7-8-18-12(2)16-10-14(22(25)26)4-6-20(16)28-18/h3-10H,1-2H3,(H3,23,24)(H3,25,26)/b8-7+
InChIKey
IBZTUOSPWNWKMA-BQYQJAHWSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)ethenyl]-3-methyl-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

372.15863 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 194.7
[M+Na]+ 395.14785 204.2
[M-H]- 371.15135 205.7
[M+NH4]+ 390.19245 208.7
[M+K]+ 411.12179 199.7
[M+H-H2O]+ 355.15589 187.8
[M+HCOO]- 417.15683 219.6
[M+CH3COO]- 431.17248 205.8
[M+Na-2H]- 393.13330 195.6
[M]+ 372.15808 197.3
[M]- 372.15918 197.3
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

patents stripe