CID 505496

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

Structural Information

Molecular Formula
C16H12Cl2N8
SMILES
C1=CC(=C(C(=C1)Cl)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Cl
InChI
InChI=1S/C16H12Cl2N8/c17-11-2-1-3-12(18)13(11)25-26-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7,25H,(H4,20,21,22,23,24,26)
InChIKey
KDEAWALTMTYEAS-UHFFFAOYSA-N
Compound name
4-[[4-amino-6-[2-(2,6-dichlorophenyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.05618 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06346 191.2
[M+Na]+ 409.04540 201.1
[M-H]- 385.04890 193.2
[M+NH4]+ 404.09000 197.0
[M+K]+ 425.01934 192.6
[M+H-H2O]+ 369.05344 174.1
[M+HCOO]- 431.05438 201.8
[M+CH3COO]- 445.07003 197.5
[M+Na-2H]- 407.03085 195.2
[M]+ 386.05563 185.8
[M]- 386.05673 185.8
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.