CID 505403

1,3,5-triazine-2,4-diamine, n-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-

Structural Information

Molecular Formula
C16H12Cl3N5
SMILES
C1=CC(=C(C(=C1)Cl)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)Cl
InChI
InChI=1S/C16H12Cl3N5/c17-9-4-6-10(7-5-9)21-16-23-14(22-15(20)24-16)8-11-12(18)2-1-3-13(11)19/h1-7H,8H2,(H3,20,21,22,23,24)
InChIKey
VNTQPJLILNZJIP-UHFFFAOYSA-N
Compound name
2-N-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.01584 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.02312 183.3
[M+Na]+ 402.00506 193.7
[M-H]- 378.00856 186.6
[M+NH4]+ 397.04966 191.9
[M+K]+ 417.97900 184.9
[M+H-H2O]+ 362.01310 173.0
[M+HCOO]- 424.01404 189.9
[M+CH3COO]- 438.02969 191.8
[M+Na-2H]- 399.99051 186.5
[M]+ 379.01529 185.3
[M]- 379.01639 185.3
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

No patent data available for this compound.