CID 52609

5-benzofurancarboximidamide, 2-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-

Structural Information

Molecular Formula
C22H19N7O
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)C(=N)N)N=NNC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C22H19N7O/c23-21(24)14-3-8-18(9-4-14)28-29-27-17-6-1-13(2-7-17)20-12-16-11-15(22(25)26)5-10-19(16)30-20/h1-12H,(H3,23,24)(H3,25,26)(H,27,28)
InChIKey
DDTJTOJPCGMKBA-UHFFFAOYSA-N
Compound name
2-[4-[(4-carbamimidoylanilino)diazenyl]phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

397.1651 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17238 191.6
[M+Na]+ 420.15432 196.9
[M-H]- 396.15782 205.2
[M+NH4]+ 415.19892 202.2
[M+K]+ 436.12826 193.2
[M+H-H2O]+ 380.16236 180.8
[M+HCOO]- 442.16330 222.5
[M+CH3COO]- 456.17895 201.6
[M+Na-2H]- 418.13977 197.8
[M]+ 397.16455 189.6
[M]- 397.16565 189.6
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.