CID 487978

Chembl416108

Structural Information

Molecular Formula
C30H26N6O
SMILES
CC1=C(C=CC(=C1)N=C(C2=CC=CC=N2)N)C3=CC=C(O3)C4=C(C=C(C=C4)N=C(C5=CC=CC=N5)N)C
InChI
InChI=1S/C30H26N6O/c1-19-17-21(35-29(31)25-7-3-5-15-33-25)9-11-23(19)27-13-14-28(37-27)24-12-10-22(18-20(24)2)36-30(32)26-8-4-6-16-34-26/h3-18H,1-2H3,(H2,31,35)(H2,32,36)
InChIKey
AXQAMYOMLXOWLI-UHFFFAOYSA-N
Compound name
N'-[4-[5-[4-[[amino(pyridin-2-yl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

486.2168 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22408 222.2
[M+Na]+ 509.20602 227.2
[M-H]- 485.20952 237.8
[M+NH4]+ 504.25062 225.6
[M+K]+ 525.17996 220.8
[M+H-H2O]+ 469.21406 208.2
[M+HCOO]- 531.21500 245.8
[M+CH3COO]- 545.23065 229.7
[M+Na-2H]- 507.19147 222.3
[M]+ 486.21625 221.0
[M]- 486.21735 221.0
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.