CID 90229391

Schembl15827845

Structural Information

Molecular Formula
C17H16N4O
SMILES
C1=CC=C(C=C1)CN=C(N)N/N=C/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H16N4O/c18-17(19-11-13-6-2-1-3-7-13)21-20-12-15-10-14-8-4-5-9-16(14)22-15/h1-10,12H,11H2,(H3,18,19,21)/b20-12+
InChIKey
BUHIWIPIXBWCOP-UDWIEESQSA-N
Compound name
1-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.13242 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 165.6
[M+Na]+ 315.12164 172.1
[M-H]- 291.12514 176.2
[M+NH4]+ 310.16624 182.1
[M+K]+ 331.09558 169.1
[M+H-H2O]+ 275.12968 156.6
[M+HCOO]- 337.13062 196.1
[M+CH3COO]- 351.14627 178.2
[M+Na-2H]- 313.10709 174.2
[M]+ 292.13187 167.0
[M]- 292.13297 167.0
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