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

43
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

literature stripe

Patent stripe

patents stripe