CID 3084110

C.i. reactive red 5

Structural Information

Molecular Formula
C24H16Cl2N6
SMILES
C1=CC=C2C=C(C=CC2=C1)N=NC3=CC4=C(C=C3)C=C(C=C4)NCC5=NC(=NC(=N5)Cl)Cl
InChI
InChI=1S/C24H16Cl2N6/c25-23-28-22(29-24(26)30-23)14-27-19-8-6-18-13-21(10-7-17(18)11-19)32-31-20-9-5-15-3-1-2-4-16(15)12-20/h1-13,27H,14H2
InChIKey
KJPUOJVUFLEJRP-UHFFFAOYSA-N
Compound name
N-[(4,6-dichloro-1,3,5-triazin-2-yl)methyl]-6-(naphthalen-2-yldiazenyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

458.08136 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08864 206.6
[M+Na]+ 481.07058 217.6
[M-H]- 457.07408 215.2
[M+NH4]+ 476.11518 214.3
[M+K]+ 497.04452 207.9
[M+H-H2O]+ 441.07862 192.7
[M+HCOO]- 503.07956 221.1
[M+CH3COO]- 517.09521 215.2
[M+Na-2H]- 479.05603 216.3
[M]+ 458.08081 213.1
[M]- 458.08191 213.1
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.