CID 24779674

N,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

Structural Information

Molecular Formula
C17H14N6
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=NN3C(=N2)NC4=CC=CC=C4
InChI
InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
InChIKey
LLYYAUZAGCZEKV-UHFFFAOYSA-N
Compound name
2-N,4-N-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

302.128 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13528 165.4
[M+Na]+ 325.11722 174.5
[M-H]- 301.12072 171.6
[M+NH4]+ 320.16182 176.6
[M+K]+ 341.09116 167.2
[M+H-H2O]+ 285.12526 153.6
[M+HCOO]- 347.12620 188.6
[M+CH3COO]- 361.14185 176.3
[M+Na-2H]- 323.10267 175.8
[M]+ 302.12745 165.4
[M]- 302.12855 165.4
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