CID 16088

Nsc 76482

Structural Information

Molecular Formula
C15H12ClN5
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3
InChI
InChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChIKey
AHBSUJXKRKWNBN-UHFFFAOYSA-N
Compound name
6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

59
Patents

297.07812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08540 165.4
[M+Na]+ 320.06734 173.7
[M-H]- 296.07084 170.8
[M+NH4]+ 315.11194 176.1
[M+K]+ 336.04128 166.2
[M+H-H2O]+ 280.07538 154.2
[M+HCOO]- 342.07632 183.8
[M+CH3COO]- 356.09197 175.8
[M+Na-2H]- 318.05279 174.9
[M]+ 297.07757 165.2
[M]- 297.07867 165.2
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