CID 217821

39641-29-7

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC1=CC(NC=C1)(C)NC(=O)N(C)C(=O)N
InChI
InChI=1S/C10H16N4O2/c1-7-4-5-12-10(2,6-7)13-9(16)14(3)8(11)15/h4-6,12H,1-3H3,(H2,11,15)(H,13,16)
InChIKey
PDLQHJOJZPYAOF-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(2,4-dimethyl-1H-pyridin-2-yl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.12732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 150.8
[M+Na]+ 247.11654 156.0
[M-H]- 223.12004 152.8
[M+NH4]+ 242.16114 168.4
[M+K]+ 263.09048 155.5
[M+H-H2O]+ 207.12458 144.3
[M+HCOO]- 269.12552 172.6
[M+CH3COO]- 283.14117 195.7
[M+Na-2H]- 245.10199 154.4
[M]+ 224.12677 147.0
[M]- 224.12787 147.0
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

patents stripe