CID 3052222

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

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CN=C(N)NC(=O)NC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C11H16N4O3/c1-13-10(12)15-11(16)14-8-6-7(17-2)4-5-9(8)18-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
InChIKey
LMVCFASVYSOENM-UHFFFAOYSA-N
Compound name
1-(2,5-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 157.8
[M+Na]+ 275.11146 165.1
[M+NH4]+ 270.15606 163.2
[M+K]+ 291.08540 161.5
[M-H]- 251.11496 160.0
[M+Na-2H]- 273.09691 161.9
[M]+ 252.12169 158.8
[M]- 252.12279 158.8
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.