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]+ 218.10364 157.0
[M+Na]+ 240.08558 164.6
[M+NH4]+ 235.13018 159.9
[M+K]+ 256.05952 156.7
[M-H]- 216.08908 152.4
[M+Na-2H]- 238.07103 159.1
[M]+ 217.09581 155.4
[M]- 217.09691 155.4
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.