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]+ 242.03270 148.4
[M+Na]+ 264.01464 161.0
[M-H]- 240.01814 153.5
[M+NH4]+ 259.05924 167.0
[M+K]+ 279.98858 157.7
[M+H-H2O]+ 224.02268 142.9
[M+HCOO]- 286.02362 169.5
[M+CH3COO]- 300.03927 194.0
[M+Na-2H]- 262.00009 154.1
[M]+ 241.02487 153.8
[M]- 241.02597 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.