CID 3010582

Chembl165281

Structural Information

Molecular Formula
C18H18N4O
SMILES
C1=CC(=CC=C1CCC2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C18H18N4O/c19-17(20)12-4-1-11(2-5-12)3-7-15-10-14-9-13(18(21)22)6-8-16(14)23-15/h1-2,4-6,8-10H,3,7H2,(H3,19,20)(H3,21,22)
InChIKey
FOLVBIKBVBOFHH-UHFFFAOYSA-N
Compound name
2-[2-(4-carbamimidoylphenyl)ethyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.14807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.7
[M+Na]+ 329.13729 179.1
[M-H]- 305.14079 180.7
[M+NH4]+ 324.18189 187.2
[M+K]+ 345.11123 174.6
[M+H-H2O]+ 289.14533 164.5
[M+HCOO]- 351.14627 198.0
[M+CH3COO]- 365.16192 216.6
[M+Na-2H]- 327.12274 176.1
[M]+ 306.14752 170.2
[M]- 306.14862 170.2
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.