CID 853427

146998-65-4

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CC1=NC(=NC(=N1)NC(=O)C)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C14H14N4O3/c1-8-15-13(18-14(16-8)17-9(2)19)11-6-4-5-7-12(11)21-10(3)20/h4-7H,1-3H3,(H,15,16,17,18,19)
InChIKey
PVNKQRYWFTWRKX-UHFFFAOYSA-N
Compound name
[2-(4-acetamido-6-methyl-1,3,5-triazin-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

286.1066 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.113876 165.5
[M+Na]+ 309.095818 173.9
[M-H]- 285.099324 168.9
[M+NH4]+ 304.140423 176.8
[M+K]+ 325.069758 170.8
[M+H-H2O]+ 269.103860 155.6
[M+HCOO]- 331.104801 185.9
[M+CH3COO]- 345.120451 203.7
[M+Na-2H]- 307.081266 169.8
[M]+ 286.10605142 168.0
[M]- 286.10714858 168.0
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.