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]+ 287.11388 165.5
[M+Na]+ 309.09582 173.9
[M-H]- 285.09932 168.9
[M+NH4]+ 304.14042 176.8
[M+K]+ 325.06976 170.8
[M+H-H2O]+ 269.10386 155.6
[M+HCOO]- 331.10480 185.9
[M+CH3COO]- 345.12045 203.7
[M+Na-2H]- 307.08127 169.8
[M]+ 286.10605 168.0
[M]- 286.10715 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.