CID 3052226

Urea, n-(3,4-dimethoxyphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CN=C(N)NC(=O)NC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H16N4O3/c1-13-10(12)15-11(16)14-7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
InChIKey
QEOUJXWBKWXEMX-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.129516 156.4
[M+Na]+ 275.111458 161.8
[M-H]- 251.114964 161.3
[M+NH4]+ 270.156063 172.9
[M+K]+ 291.085398 161.6
[M+H-H2O]+ 235.119500 148.4
[M+HCOO]- 297.120441 184.3
[M+CH3COO]- 311.136091 205.7
[M+Na-2H]- 273.096906 160.3
[M]+ 252.12169142 156.9
[M]- 252.12278858 156.9
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.