CID 3007924

Chembl291613

Structural Information

Molecular Formula
C22H26N6O
SMILES
CC1=C(C=CC(=C1C)N=C(N)N)C2=CC=C(O2)C3=C(C(=C(C=C3)N=C(N)N)C)C
InChI
InChI=1S/C22H26N6O/c1-11-13(3)17(27-21(23)24)7-5-15(11)19-9-10-20(29-19)16-6-8-18(28-22(25)26)14(4)12(16)2/h5-10H,1-4H3,(H4,23,24,27)(H4,25,26,28)
InChIKey
ZZKKPTBZYNFSFX-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(diaminomethylideneamino)-2,3-dimethylphenyl]furan-2-yl]-2,3-dimethylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

390.2168 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22408 203.8
[M+Na]+ 413.20602 210.3
[M-H]- 389.20952 216.4
[M+NH4]+ 408.25062 214.8
[M+K]+ 429.17996 206.9
[M+H-H2O]+ 373.21406 193.7
[M+HCOO]- 435.21500 231.3
[M+CH3COO]- 449.23065 245.3
[M+Na-2H]- 411.19147 200.3
[M]+ 390.21625 201.8
[M]- 390.21735 201.8
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.