CID 3024662

3-(2,2-dimethyl-1-phenylcarbamoylhydrazino)propionitrile

Structural Information

Molecular Formula
C12H16N4O
SMILES
CN(C)N(CCC#N)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H16N4O/c1-15(2)16(10-6-9-13)12(17)14-11-7-4-3-5-8-11/h3-5,7-8H,6,10H2,1-2H3,(H,14,17)
InChIKey
KLNDIUJPKPABHZ-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-1-(dimethylamino)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.13242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 158.3
[M+Na]+ 255.12164 164.1
[M-H]- 231.12514 163.0
[M+NH4]+ 250.16624 174.1
[M+K]+ 271.09558 163.7
[M+H-H2O]+ 215.12968 143.7
[M+HCOO]- 277.13062 180.9
[M+CH3COO]- 291.14627 214.0
[M+Na-2H]- 253.10709 162.0
[M]+ 232.13187 153.9
[M]- 232.13297 153.9
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

patents stripe