CID 505495

4-[[4-amino-6-[2-(2,4,6-trichlorophenyl)hydrazino]-1,3,5-triazin-2-yl]amino]benzonitrile

Structural Information

Molecular Formula
C16H11Cl3N8
SMILES
C1=CC(=CC=C1C#N)NC2=NC(=NC(=N2)N)NNC3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C16H11Cl3N8/c17-9-5-11(18)13(12(19)6-9)26-27-16-24-14(21)23-15(25-16)22-10-3-1-8(7-20)2-4-10/h1-6,26H,(H4,21,22,23,24,25,27)
InChIKey
VVJZBYZFVQHQSQ-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-[2-(2,4,6-trichlorophenyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0172 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02448 197.6
[M+Na]+ 443.00642 208.1
[M-H]- 419.00992 198.7
[M+NH4]+ 438.05102 202.7
[M+K]+ 458.98036 199.5
[M+H-H2O]+ 403.01446 181.4
[M+HCOO]- 465.01540 203.3
[M+CH3COO]- 479.03105 203.1
[M+Na-2H]- 440.99187 199.7
[M]+ 420.01665 193.1
[M]- 420.01775 193.1
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.