CID 11971263

(4,5-dihydro-4,6-dimethyl-5-methylene-1,2,4-triazin-3-yl)urea

Structural Information

Molecular Formula
C7H11N5O
SMILES
CC1=NN=C(N(C1=C)C)NC(=O)N
InChI
InChI=1S/C7H11N5O/c1-4-5(2)12(3)7(11-10-4)9-6(8)13/h2H2,1,3H3,(H3,8,9,11,13)
InChIKey
XWSPLWILLHLSHQ-UHFFFAOYSA-N
Compound name
(4,6-dimethyl-5-methylidene-1,2,4-triazin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09636 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.103636 141.4
[M+Na]+ 204.085578 150.4
[M-H]- 180.089084 141.4
[M+NH4]+ 199.130183 157.2
[M+K]+ 220.059518 147.9
[M+H-H2O]+ 164.093620 133.6
[M+HCOO]- 226.094561 162.3
[M+CH3COO]- 240.110211 186.5
[M+Na-2H]- 202.071026 145.9
[M]+ 181.09581142 138.6
[M]- 181.09690858 138.6
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.