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 163.2
[M+Na]+ 303.06594 171.5
[M-H]- 279.06944 171.4
[M+NH4]+ 298.11054 180.7
[M+K]+ 319.03988 164.8
[M+H-H2O]+ 263.07398 155.6
[M+HCOO]- 325.07492 183.9
[M+CH3COO]- 339.09057 175.3
[M+Na-2H]- 301.05139 169.9
[M]+ 280.07617 163.4
[M]- 280.07727 163.4
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.