CID 3010566

Guanidine, n-[4-[5-[(aminoiminomethyl)amino]-2-benzofuranyl]phenyl]-

Structural Information

Molecular Formula
C16H16N6O
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)N=C(N)N)N=C(N)N
InChI
InChI=1S/C16H16N6O/c17-15(18)21-11-3-1-9(2-4-11)14-8-10-7-12(22-16(19)20)5-6-13(10)23-14/h1-8H,(H4,17,18,21)(H4,19,20,22)
InChIKey
VAYJLYWRLAIDSC-UHFFFAOYSA-N
Compound name
2-[4-[5-(diaminomethylideneamino)-1-benzofuran-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.13855 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14583 170.0
[M+Na]+ 331.12777 176.6
[M-H]- 307.13127 180.0
[M+NH4]+ 326.17237 184.6
[M+K]+ 347.10171 174.0
[M+H-H2O]+ 291.13581 160.8
[M+HCOO]- 353.13675 199.6
[M+CH3COO]- 367.15240 223.7
[M+Na-2H]- 329.11322 174.6
[M]+ 308.13800 167.2
[M]- 308.13910 167.2
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.