CID 100730

Urea, (5-chloro-2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-

Structural Information

Molecular Formula
C9H8ClN3O3
SMILES
CN1C2=C(C=C(C(=C2)Cl)NC(=O)N)OC1=O
InChI
InChI=1S/C9H8ClN3O3/c1-13-6-2-4(10)5(12-8(11)14)3-7(6)16-9(13)15/h2-3H,1H3,(H3,11,12,14)
InChIKey
DUQJMEGGJHZJNM-UHFFFAOYSA-N
Compound name
(5-chloro-3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.02542 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.032696 148.4
[M+Na]+ 264.014638 161.0
[M-H]- 240.018144 153.5
[M+NH4]+ 259.059243 167.0
[M+K]+ 279.988578 157.7
[M+H-H2O]+ 224.022680 142.9
[M+HCOO]- 286.023621 169.5
[M+CH3COO]- 300.039271 194.0
[M+Na-2H]- 262.000086 154.1
[M]+ 241.02487142 153.8
[M]- 241.02596858 153.8
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.