CID 43163936

3-amino-1-(5-chloro-2,4-dimethoxyphenyl)urea

Structural Information

Molecular Formula
C9H12ClN3O3
SMILES
COC1=CC(=C(C=C1NC(=O)NN)Cl)OC
InChI
InChI=1S/C9H12ClN3O3/c1-15-7-4-8(16-2)6(3-5(7)10)12-9(14)13-11/h3-4H,11H2,1-2H3,(H2,12,13,14)
InChIKey
HYWDHARWAGGXGX-UHFFFAOYSA-N
Compound name
1-amino-3-(5-chloro-2,4-dimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05672 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.063996 151.3
[M+Na]+ 268.045938 159.5
[M-H]- 244.049444 155.1
[M+NH4]+ 263.090543 168.9
[M+K]+ 284.019878 156.9
[M+H-H2O]+ 228.053980 145.6
[M+HCOO]- 290.054921 173.6
[M+CH3COO]- 304.070571 198.1
[M+Na-2H]- 266.031386 155.3
[M]+ 245.05617142 153.9
[M]- 245.05726858 153.9
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.