CID 69299

1,4-diphenylsemicarbazide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C13H13N3O/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)
InChIKey
NGZZNUMYERKSQA-UHFFFAOYSA-N
Compound name
1-anilino-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

19
Patents

227.10587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 148.1
[M+Na]+ 250.09509 152.6
[M-H]- 226.09859 154.5
[M+NH4]+ 245.13969 164.6
[M+K]+ 266.06903 149.3
[M+H-H2O]+ 210.10313 139.9
[M+HCOO]- 272.10407 175.3
[M+CH3COO]- 286.11972 194.7
[M+Na-2H]- 248.08054 156.8
[M]+ 227.10532 144.7
[M]- 227.10642 144.7
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

No patent data available for this compound.