CID 3668337

1-(3,4-dichlorophenyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Structural Information

Molecular Formula
C12H11Cl2N5O2
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H11Cl2N5O2/c1-6-15-10(19-12(16-6)21-2)18-11(20)17-7-3-4-8(13)9(14)5-7/h3-5H,1-2H3,(H2,15,16,17,18,19,20)
InChIKey
XHGQRBTWNAWRFY-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.029 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03628 169.8
[M+Na]+ 350.01822 184.3
[M+NH4]+ 345.06282 175.9
[M+K]+ 365.99216 177.6
[M-H]- 326.02172 172.5
[M+Na-2H]- 348.00367 177.5
[M]+ 327.02845 173.0
[M]- 327.02955 173.0
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.