CID 44629895

2,3-dihydro-2-spiro-4'-[8'-aminonaphthalen-1'(4'h)-one]perimidine (contains o-form)

Structural Information

Molecular Formula
C20H15N3O
SMILES
C1=CC2=C3C(=C1)NC4(C=CC(=O)C5=C4C=CC=C5N)NC3=CC=C2
InChI
InChI=1S/C20H15N3O/c21-14-7-3-6-13-19(14)17(24)10-11-20(13)22-15-8-1-4-12-5-2-9-16(23-20)18(12)15/h1-11,22-23H,21H2
InChIKey
GEUHINMXSZXTFV-UHFFFAOYSA-N
Compound name
8'-aminospiro[1,3-dihydroperimidine-2,4'-naphthalene]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

313.12152 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12880 172.7
[M+Na]+ 336.11074 181.6
[M-H]- 312.11424 174.6
[M+NH4]+ 331.15534 188.0
[M+K]+ 352.08468 172.6
[M+H-H2O]+ 296.11878 162.3
[M+HCOO]- 358.11972 184.8
[M+CH3COO]- 372.13537 181.5
[M+Na-2H]- 334.09619 181.5
[M]+ 313.12097 166.8
[M]- 313.12207 166.8
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