CID 487975

Chembl46010

Structural Information

Molecular Formula
C20H22N6O3
SMILES
COC1=C(C=CC(=C1)N=C(N)N)C2=CC=C(O2)C3=C(C=C(C=C3)N=C(N)N)OC
InChI
InChI=1S/C20H22N6O3/c1-27-17-9-11(25-19(21)22)3-5-13(17)15-7-8-16(29-15)14-6-4-12(26-20(23)24)10-18(14)28-2/h3-10H,1-2H3,(H4,21,22,25)(H4,23,24,26)
InChIKey
UTNIUXLNOKNKGA-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)-2-methoxyphenyl]furan-2-yl]-3-methoxyphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

394.17532 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18260 196.0
[M+Na]+ 417.16454 201.0
[M-H]- 393.16804 208.2
[M+NH4]+ 412.20914 206.0
[M+K]+ 433.13848 199.4
[M+H-H2O]+ 377.17258 185.3
[M+HCOO]- 439.17352 224.7
[M+CH3COO]- 453.18917 241.5
[M+Na-2H]- 415.14999 195.7
[M]+ 394.17477 195.2
[M]- 394.17587 195.2
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.