CID 44629896

2,3-dihydro-2-spiro-7'-[8'-imino-7',8'-dihydronaphthalen-1'-amine]perimidine

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 170.4
[M+Na]+ 335.12670 178.8
[M-H]- 311.13020 172.2
[M+NH4]+ 330.17130 185.5
[M+K]+ 351.10064 169.2
[M+H-H2O]+ 295.13474 160.2
[M+HCOO]- 357.13568 183.4
[M+CH3COO]- 371.15133 179.0
[M+Na-2H]- 333.11215 180.1
[M]+ 312.13693 162.8
[M]- 312.13803 162.8
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

patents stripe