CID 44629896

851768-62-2

Structural Information

Molecular Formula
C20H16N4
SMILES
C1=CC2=C(C(=C1)N)C(=N)C3(C=C2)NC4=CC=CC5=C4C(=CC=C5)N3
InChI
InChI=1S/C20H16N4/c21-14-7-1-4-13-10-11-20(19(22)17(13)14)23-15-8-2-5-12-6-3-9-16(24-20)18(12)15/h1-11,22-24H,21H2
InChIKey
CXGACCZEFCWAJN-UHFFFAOYSA-N
Compound name
8'-iminospiro[1,3-dihydroperimidine-2,7'-naphthalene]-1'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

312.13748 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14476 173.5
[M+Na]+ 335.12670 188.7
[M+NH4]+ 330.17130 184.4
[M+K]+ 351.10064 177.3
[M-H]- 311.13020 178.9
[M+Na-2H]- 333.11215 180.9
[M]+ 312.13693 177.4
[M]- 312.13803 177.4
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

patents stripe