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 169.6
[M+Na]+ 321.13219 173.0
[M-H]- 297.13569 177.4
[M+NH4]+ 316.17679 183.6
[M+K]+ 337.10613 171.3
[M+H-H2O]+ 281.14023 160.2
[M+HCOO]- 343.14117 196.7
[M+CH3COO]- 357.15682 214.5
[M+Na-2H]- 319.11764 174.3
[M]+ 298.14242 168.0
[M]- 298.14352 168.0
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.