CID 780750

43167-79-9

Structural Information

Molecular Formula
C19H20N6O
SMILES
C1COCCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C19H20N6O/c1-3-7-15(8-4-1)20-17-22-18(21-16-9-5-2-6-10-16)24-19(23-17)25-11-13-26-14-12-25/h1-10H,11-14H2,(H2,20,21,22,23,24)
InChIKey
GSXOUQFSYTZEJF-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.16986 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17714 182.0
[M+Na]+ 371.15908 186.2
[M-H]- 347.16258 188.6
[M+NH4]+ 366.20368 186.0
[M+K]+ 387.13302 180.2
[M+H-H2O]+ 331.16712 167.8
[M+HCOO]- 393.16806 198.4
[M+CH3COO]- 407.18371 189.5
[M+Na-2H]- 369.14453 189.7
[M]+ 348.16931 176.4
[M]- 348.17041 176.4
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