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

17
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

literature stripe

Patent stripe

patents stripe