CID 69049

4,4-diphenylsemicarbazide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NN
InChI
InChI=1S/C13H13N3O/c14-15-13(17)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2,(H,15,17)
InChIKey
VVVFQQJJJRFDTE-UHFFFAOYSA-N
Compound name
3-amino-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

227.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.6
[M+Na]+ 250.09509 154.3
[M-H]- 226.09859 157.0
[M+NH4]+ 245.13969 166.5
[M+K]+ 266.06903 152.1
[M+H-H2O]+ 210.10313 141.3
[M+HCOO]- 272.10407 176.8
[M+CH3COO]- 286.11972 197.4
[M+Na-2H]- 248.08054 156.5
[M]+ 227.10532 146.4
[M]- 227.10642 146.4
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

patents stripe