CID 35300

30369-88-1

Structural Information

Molecular Formula
C13H8Cl2N4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N4/c14-11-17-12(15)19-13(18-11)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17,18,19)
InChIKey
DDGDKGONLRLJDM-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-naphthalen-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.0126 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01988 161.4
[M+Na]+ 313.00182 180.0
[M+NH4]+ 308.04642 170.7
[M+K]+ 328.97576 169.9
[M-H]- 289.00532 166.4
[M+Na-2H]- 310.98727 172.2
[M]+ 290.01205 166.3
[M]- 290.01315 166.3
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

patents stripe