CID 3052216

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

Structural Information

Molecular Formula
C10H11N5O
SMILES
CN=C(N)NC(=O)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H11N5O/c1-13-9(12)15-10(16)14-8-4-2-7(6-11)3-5-8/h2-5H,1H3,(H4,12,13,14,15,16)
InChIKey
OIMPIUHAOKOESN-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 155.4
[M+Na]+ 240.085578 162.1
[M-H]- 216.089084 158.9
[M+NH4]+ 235.130183 170.7
[M+K]+ 256.059518 160.6
[M+H-H2O]+ 200.093620 141.2
[M+HCOO]- 262.094561 178.4
[M+CH3COO]- 276.110211 208.8
[M+Na-2H]- 238.071026 159.0
[M]+ 217.09581142 147.0
[M]- 217.09690858 147.0
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.