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]+ 296.07964 167.4
[M+Na]+ 318.06158 176.9
[M-H]- 294.06508 174.5
[M+NH4]+ 313.10618 182.7
[M+K]+ 334.03552 173.9
[M+H-H2O]+ 278.06962 160.1
[M+HCOO]- 340.07056 187.8
[M+CH3COO]- 354.08621 205.0
[M+Na-2H]- 316.04703 170.4
[M]+ 295.07181 173.0
[M]- 295.07291 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.