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 164.5
[M+Na]+ 309.07250 171.7
[M-H]- 285.07600 169.6
[M+NH4]+ 304.11710 180.8
[M+K]+ 325.04644 169.5
[M+H-H2O]+ 269.08054 157.9
[M+HCOO]- 331.08148 187.9
[M+CH3COO]- 345.09713 210.6
[M+Na-2H]- 307.05795 167.1
[M]+ 286.08273 167.6
[M]- 286.08383 167.6
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.