CID 88967

21614-17-5

Structural Information

Molecular Formula
C15H11Cl2N3O
SMILES
CCOC1=CC=C(C2=CC=CC=C21)C3=NC(=NC(=N3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O/c1-2-21-12-8-7-11(9-5-3-4-6-10(9)12)13-18-14(16)20-15(17)19-13/h3-8H,2H2,1H3
InChIKey
NGCDHSYNLYVAQN-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(4-ethoxynaphthalen-1-yl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

319.02792 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03520 168.3
[M+Na]+ 342.01714 180.3
[M-H]- 318.02064 171.2
[M+NH4]+ 337.06174 181.1
[M+K]+ 357.99108 172.9
[M+H-H2O]+ 302.02518 158.6
[M+HCOO]- 364.02612 178.1
[M+CH3COO]- 378.04177 179.2
[M+Na-2H]- 340.00259 174.6
[M]+ 319.02737 173.8
[M]- 319.02847 173.8
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