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]+ 246.06400 151.3
[M+Na]+ 268.04594 159.5
[M-H]- 244.04944 155.1
[M+NH4]+ 263.09054 168.9
[M+K]+ 284.01988 156.9
[M+H-H2O]+ 228.05398 145.6
[M+HCOO]- 290.05492 173.6
[M+CH3COO]- 304.07057 198.1
[M+Na-2H]- 266.03139 155.3
[M]+ 245.05617 153.9
[M]- 245.05727 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.