CID 3059241

1,3-dimethyl-5-(5-methyl-2-pyridyl)biuret

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CC1=CN=C(C=C1)NC(=O)N(C)C(=O)NC
InChI
InChI=1S/C10H14N4O2/c1-7-4-5-8(12-6-7)13-10(16)14(3)9(15)11-2/h4-6H,1-3H3,(H,11,15)(H,12,13,16)
InChIKey
MYCRKQCSXHETFU-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-[(5-methylpyridin-2-yl)carbamoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 150.3
[M+Na]+ 245.10090 156.0
[M-H]- 221.10440 154.3
[M+NH4]+ 240.14550 167.0
[M+K]+ 261.07484 156.0
[M+H-H2O]+ 205.10894 142.2
[M+HCOO]- 267.10988 175.7
[M+CH3COO]- 281.12553 198.0
[M+Na-2H]- 243.08635 155.1
[M]+ 222.11113 150.3
[M]- 222.11223 150.3
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.