CID 3007922

Schembl14599571

Structural Information

Molecular Formula
C18H17N3O2
SMILES
COC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)N=C(N)N
InChI
InChI=1S/C18H17N3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)21-18(19)20/h2-11H,1H3,(H4,19,20,21)
InChIKey
ZOAWQFDCMYAGTF-UHFFFAOYSA-N
Compound name
2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

307.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.5
[M+Na]+ 330.12130 179.2
[M-H]- 306.12480 184.0
[M+NH4]+ 325.16590 186.8
[M+K]+ 346.09524 176.1
[M+H-H2O]+ 290.12934 163.5
[M+HCOO]- 352.13028 199.6
[M+CH3COO]- 366.14593 213.3
[M+Na-2H]- 328.10675 175.5
[M]+ 307.13153 172.3
[M]- 307.13263 172.3
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.