CID 6482470

Chembl1080403

Structural Information

Molecular Formula
C19H16N4O
SMILES
C/C(=C/C1=COC2=NC(=NC(=C12)N)N)/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H16N4O/c1-11(14-8-4-6-12-5-2-3-7-15(12)14)9-13-10-24-18-16(13)17(20)22-19(21)23-18/h2-10H,1H3,(H4,20,21,22,23)/b11-9-
InChIKey
BETPLGQRWYWUDW-LUAWRHEFSA-N
Compound name
5-[(Z)-2-naphthalen-1-ylprop-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.13242 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 175.4
[M+Na]+ 339.12164 185.7
[M-H]- 315.12514 182.2
[M+NH4]+ 334.16624 188.9
[M+K]+ 355.09558 179.6
[M+H-H2O]+ 299.12968 166.2
[M+HCOO]- 361.13062 196.4
[M+CH3COO]- 375.14627 186.6
[M+Na-2H]- 337.10709 180.5
[M]+ 316.13187 176.1
[M]- 316.13297 176.1
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

No patent data available for this compound.