CID 211743

Brn 2853496

Structural Information

Molecular Formula
C17H13ClN2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=NC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H13ClN2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,19,20)
InChIKey
KYJBCACENCMLOZ-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)naphthalene-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08400 163.6
[M+Na]+ 303.06594 180.0
[M+NH4]+ 298.11054 174.1
[M+K]+ 319.03988 169.7
[M-H]- 279.06944 171.3
[M+Na-2H]- 301.05139 174.6
[M]+ 280.07617 168.6
[M]- 280.07727 168.6
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.