CID 448841

Trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine

Structural Information

Molecular Formula
C20H18N2
SMILES
C1[C@H]([C@@H]1C2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C4=CC=CC=C4
InChI
InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)/t18-,19-/m0/s1
InChIKey
NQRIWXVAIWPBEM-OALUTQOASA-N
Compound name
6-[(1R,2R)-2-phenylcyclopropyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

286.147 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15428 159.5
[M+Na]+ 309.13622 167.9
[M-H]- 285.13972 170.0
[M+NH4]+ 304.18082 170.6
[M+K]+ 325.11016 161.2
[M+H-H2O]+ 269.14426 151.6
[M+HCOO]- 331.14520 183.0
[M+CH3COO]- 345.16085 170.9
[M+Na-2H]- 307.12167 165.1
[M]+ 286.14645 158.2
[M]- 286.14755 158.2
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.