CID 11971100

2,4-diamino-6-(2-chloro-3-naphthyl)-s-triazine

Structural Information

Molecular Formula
C13H10ClN5
SMILES
C1=CC=C2C=C(C(=CC2=C1)C3=NC(=NC(=N3)N)N)Cl
InChI
InChI=1S/C13H10ClN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
InChIKey
WEOTZQJNSSNRPX-UHFFFAOYSA-N
Compound name
6-(3-chloronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.06247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06975 159.1
[M+Na]+ 294.05169 175.8
[M+NH4]+ 289.09629 167.6
[M+K]+ 310.02563 167.5
[M-H]- 270.05519 164.3
[M+Na-2H]- 292.03714 168.6
[M]+ 271.06192 163.3
[M]- 271.06302 163.3
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