CID 3020307

85030-38-2

Structural Information

Molecular Formula
C16H13ClN4
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3)N)Cl)N
InChI
InChI=1S/C16H13ClN4/c17-13-9-10(18)5-7-16(13)21-20-15-8-6-14(19)11-3-1-2-4-12(11)15/h1-9H,18-19H2
InChIKey
RSOCDNOXQMQKJV-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-chlorophenyl)diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0829 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.090176 167.3
[M+Na]+ 319.072118 177.0
[M-H]- 295.075624 177.0
[M+NH4]+ 314.116723 184.5
[M+K]+ 335.046058 170.7
[M+H-H2O]+ 279.080160 159.2
[M+HCOO]- 341.081101 192.1
[M+CH3COO]- 355.096751 179.9
[M+Na-2H]- 317.057566 174.5
[M]+ 296.08235142 168.2
[M]- 296.08344858 168.2
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.