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

0
References

19
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

literature stripe

Patent stripe

patents stripe