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]+ 299.150246 169.6
[M+Na]+ 321.132188 173.0
[M-H]- 297.135694 177.4
[M+NH4]+ 316.176793 183.6
[M+K]+ 337.106128 171.3
[M+H-H2O]+ 281.140230 160.2
[M+HCOO]- 343.141171 196.7
[M+CH3COO]- 357.156821 214.5
[M+Na-2H]- 319.117636 174.3
[M]+ 298.14242142 168.0
[M]- 298.14351858 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.