CID 460175

Schembl548415

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1=CC(=CC(=C1)C(=N)N)C2=CC=C(O2)C3=CC(=CC=C3)C(=N)N
InChI
InChI=1S/C18H16N4O/c19-17(20)13-5-1-3-11(9-13)15-7-8-16(23-15)12-4-2-6-14(10-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKey
MIBAPPPGFDHXOP-UHFFFAOYSA-N
Compound name
3-[5-(3-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

149
Patents

304.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 172.6
[M+Na]+ 327.12164 178.0
[M-H]- 303.12514 182.8
[M+NH4]+ 322.16624 185.7
[M+K]+ 343.09558 173.6
[M+H-H2O]+ 287.12968 163.8
[M+HCOO]- 349.13062 198.2
[M+CH3COO]- 363.14627 183.4
[M+Na-2H]- 325.10709 174.5
[M]+ 304.13187 167.5
[M]- 304.13297 167.5
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

No patent data available for this compound.