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

literature stripe

Patent stripe

patents stripe