CID 310226

Nsc213703

Structural Information

Molecular Formula
C13H14ClN3O3
SMILES
CC1=C(ON=C1C)NC(=O)NC2=C(C=C(C=C2)OC)Cl
InChI
InChI=1S/C13H14ClN3O3/c1-7-8(2)17-20-12(7)16-13(18)15-11-5-4-9(19-3)6-10(11)14/h4-6H,1-3H3,(H2,15,16,18)
InChIKey
ZVBYWSLVUCAGCT-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-methoxyphenyl)-3-(3,4-dimethyl-1,2-oxazol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07236 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.079636 167.4
[M+Na]+ 318.061578 176.9
[M-H]- 294.065084 174.5
[M+NH4]+ 313.106183 182.7
[M+K]+ 334.035518 173.9
[M+H-H2O]+ 278.069620 160.1
[M+HCOO]- 340.070561 187.8
[M+CH3COO]- 354.086211 205.0
[M+Na-2H]- 316.047026 170.4
[M]+ 295.07181142 173.0
[M]- 295.07290858 173.0
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

No patent data available for this compound.