CID 847412

1-(4-(dimethylamino)benzoyl)-4-phenylsemicarbazide

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N4O2/c1-20(2)14-10-8-12(9-11-14)15(21)18-19-16(22)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H2,17,19,22)
InChIKey
PWGGCQUHKBRDNY-UHFFFAOYSA-N
Compound name
1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

298.14297 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 171.6
[M+Na]+ 321.13219 180.9
[M+NH4]+ 316.17679 178.0
[M+K]+ 337.10613 175.5
[M-H]- 297.13569 176.9
[M+Na-2H]- 319.11764 179.5
[M]+ 298.14242 174.0
[M]- 298.14352 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.