CID 116727

71033-01-7

Structural Information

Molecular Formula
C14H12Cl2N4O3
SMILES
CC(=O)C(C1=NC(=NC(=N1)Cl)Cl)C(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C14H12Cl2N4O3/c1-7(21)10(11-18-13(15)20-14(16)19-11)12(22)17-8-5-3-4-6-9(8)23-2/h3-6,10H,1-2H3,(H,17,22)
InChIKey
QFKHNOLBVWLNNR-UHFFFAOYSA-N
Compound name
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.02866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03594 172.0
[M+Na]+ 377.01788 180.9
[M-H]- 353.02138 174.6
[M+NH4]+ 372.06248 181.8
[M+K]+ 392.99182 175.9
[M+H-H2O]+ 337.02592 163.2
[M+HCOO]- 399.02686 181.8
[M+CH3COO]- 413.04251 213.0
[M+Na-2H]- 375.00333 174.4
[M]+ 354.02811 177.4
[M]- 354.02921 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.