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]+ 253.12952 156.4
[M+Na]+ 275.11146 161.8
[M-H]- 251.11496 161.3
[M+NH4]+ 270.15606 172.9
[M+K]+ 291.08540 161.6
[M+H-H2O]+ 235.11950 148.4
[M+HCOO]- 297.12044 184.3
[M+CH3COO]- 311.13609 205.7
[M+Na-2H]- 273.09691 160.3
[M]+ 252.12169 156.9
[M]- 252.12279 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.