CID 15278233

208252-67-9

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)N
InChI
InChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12)
InChIKey
NEVDMPLXCGERDI-UHFFFAOYSA-N
Compound name
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

62
Patents

183.07562 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 138.1
[M+Na]+ 206.064838 147.1
[M-H]- 182.068344 138.1
[M+NH4]+ 201.109443 153.4
[M+K]+ 222.038778 145.7
[M+H-H2O]+ 166.072880 129.8
[M+HCOO]- 228.073821 160.8
[M+CH3COO]- 242.089471 185.6
[M+Na-2H]- 204.050286 145.0
[M]+ 183.07507142 138.2
[M]- 183.07616858 138.2
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

patents stripe