CID 3059271

76267-35-1

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CC1=CC=CC=C1NC(=O)N(CCC#N)C(=O)N
InChI
InChI=1S/C12H14N4O2/c1-9-5-2-3-6-10(9)15-12(18)16(11(14)17)8-4-7-13/h2-3,5-6H,4,8H2,1H3,(H2,14,17)(H,15,18)
InChIKey
AUFNMXMZYYCZHV-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2-cyanoethyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11168 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 162.0
[M+Na]+ 269.10090 169.6
[M+NH4]+ 264.14550 164.4
[M+K]+ 285.07484 162.2
[M-H]- 245.10440 156.5
[M+Na-2H]- 267.08635 163.4
[M]+ 246.11113 160.2
[M]- 246.11223 160.2
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.