CID 5799665

Nsc689283

Structural Information

Molecular Formula
C20H15Cl2N3O
SMILES
C1/C(=C/C2=CC=CC=C2Cl)/C3=NC(=NC(=C3CO1)C4=CC=CC=C4Cl)N
InChI
InChI=1S/C20H15Cl2N3O/c21-16-7-3-1-5-12(16)9-13-10-26-11-15-18(13)24-20(23)25-19(15)14-6-2-4-8-17(14)22/h1-9H,10-11H2,(H2,23,24,25)/b13-9-
InChIKey
OCYLMYFNCRTHHP-LCYFTJDESA-N
Compound name
(8E)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0592 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06648 191.4
[M+Na]+ 406.04842 201.2
[M-H]- 382.05192 198.2
[M+NH4]+ 401.09302 200.7
[M+K]+ 422.02236 193.1
[M+H-H2O]+ 366.05646 180.8
[M+HCOO]- 428.05740 199.0
[M+CH3COO]- 442.07305 200.3
[M+Na-2H]- 404.03387 194.3
[M]+ 383.05865 192.0
[M]- 383.05975 192.0
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.