CID 3052236

Urea, n-(5-chloro-2,4-dimethoxyphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H15ClN4O3
SMILES
CN=C(N)NC(=O)NC1=CC(=C(C=C1OC)OC)Cl
InChI
InChI=1S/C11H15ClN4O3/c1-14-10(13)16-11(17)15-7-4-6(12)8(18-2)5-9(7)19-3/h4-5H,1-3H3,(H4,13,14,15,16,17)
InChIKey
RCNKOZKSYXZGIT-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08328 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09056 163.5
[M+Na]+ 309.07250 172.0
[M+NH4]+ 304.11710 169.1
[M+K]+ 325.04644 167.7
[M-H]- 285.07600 165.6
[M+Na-2H]- 307.05795 167.4
[M]+ 286.08273 165.0
[M]- 286.08383 165.0
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.