CID 16073799

Chembl20480

Structural Information

Molecular Formula
C19H23N5O
SMILES
CC1=CC(=CC=C1)OCC2=CC(=CC=C2)N3C(=NC(=NC3(C)C)N)N
InChI
InChI=1S/C19H23N5O/c1-13-6-4-9-16(10-13)25-12-14-7-5-8-15(11-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
InChIKey
RWXWLTHUGRWMRC-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[3-[(3-methylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

337.19025 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 184.5
[M+Na]+ 360.17947 193.2
[M-H]- 336.18297 190.1
[M+NH4]+ 355.22407 195.2
[M+K]+ 376.15341 187.1
[M+H-H2O]+ 320.18751 173.3
[M+HCOO]- 382.18845 204.0
[M+CH3COO]- 396.20410 194.0
[M+Na-2H]- 358.16492 188.0
[M]+ 337.18970 183.2
[M]- 337.19080 183.2
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

No patent data available for this compound.