CID 46913817

792184-90-8

Structural Information

Molecular Formula
C20H17FN8
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCC3=NC=CC=N3)NC4=CC=C(C=C4)F
InChI
InChI=1S/C20H17FN8/c21-14-7-9-16(10-8-14)26-20-28-18(24-13-17-22-11-4-12-23-17)27-19(29-20)25-15-5-2-1-3-6-15/h1-12H,13H2,(H3,24,25,26,27,28,29)
InChIKey
APYUZVKHUKMAIJ-UHFFFAOYSA-N
Compound name
2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

388.156 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16328 188.4
[M+Na]+ 411.14522 195.3
[M-H]- 387.14872 193.2
[M+NH4]+ 406.18982 191.0
[M+K]+ 427.11916 185.8
[M+H-H2O]+ 371.15326 173.1
[M+HCOO]- 433.15420 208.0
[M+CH3COO]- 447.16985 195.6
[M+Na-2H]- 409.13067 198.6
[M]+ 388.15545 184.9
[M]- 388.15655 184.9
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