CID 16073808

Chembl20424

Structural Information

Molecular Formula
C24H25N5O
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)COC3=CC=CC(=C3)C4=CC=CC=C4)N)N)C
InChI
InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-6-8-17(14-20)16-30-21-13-7-11-19(15-21)18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)
InChIKey
ZDWRGSYMUVYIQJ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[3-[(3-phenylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

399.2059 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21318 201.3
[M+Na]+ 422.19512 208.8
[M-H]- 398.19862 209.3
[M+NH4]+ 417.23972 208.5
[M+K]+ 438.16906 201.1
[M+H-H2O]+ 382.20316 187.9
[M+HCOO]- 444.20410 220.0
[M+CH3COO]- 458.21975 209.3
[M+Na-2H]- 420.18057 204.7
[M]+ 399.20535 198.8
[M]- 399.20645 198.8
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

No patent data available for this compound.