CID 487980

Chembl49894

Structural Information

Molecular Formula
C32H30N6O
SMILES
CC1=CN=C(C=C1)C(=NC2=CC(=C(C=C2)C3=CC=C(O3)C4=C(C=C(C=C4)N=C(C5=NC=C(C=C5)C)N)C)C)N
InChI
InChI=1S/C32H30N6O/c1-19-5-11-27(35-17-19)31(33)37-23-7-9-25(21(3)15-23)29-13-14-30(39-29)26-10-8-24(16-22(26)4)38-32(34)28-12-6-20(2)18-36-28/h5-18H,1-4H3,(H2,33,37)(H2,34,38)
InChIKey
IOARWKOQYQWSGY-UHFFFAOYSA-N
Compound name
N'-[4-[5-[4-[[amino-(5-methylpyridin-2-yl)methylidene]amino]-2-methylphenyl]furan-2-yl]-3-methylphenyl]-5-methylpyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

514.2481 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25538 234.3
[M+Na]+ 537.23732 240.1
[M-H]- 513.24082 250.3
[M+NH4]+ 532.28192 237.2
[M+K]+ 553.21126 233.6
[M+H-H2O]+ 497.24536 220.3
[M+HCOO]- 559.24630 257.1
[M+CH3COO]- 573.26195 241.4
[M+Na-2H]- 535.22277 231.7
[M]+ 514.24755 234.5
[M]- 514.24865 234.5
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.