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

literature stripe

Patent stripe

patents stripe