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 147.0
[M+Na]+ 264.01464 159.7
[M+NH4]+ 259.05924 154.0
[M+K]+ 279.98858 156.9
[M-H]- 240.01814 149.6
[M+Na-2H]- 262.00009 151.3
[M]+ 241.02487 149.6
[M]- 241.02597 149.6
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.