CID 10860

Diphenylcarbazone

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
InChI
InChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
InChIKey
ZFWAHZCOKGWUIT-UHFFFAOYSA-N
Compound name
1-anilino-3-phenyliminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1420
Patents

240.1011 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 150.4
[M+Na]+ 263.090318 155.3
[M-H]- 239.093824 159.5
[M+NH4]+ 258.134923 167.3
[M+K]+ 279.064258 153.2
[M+H-H2O]+ 223.098360 141.2
[M+HCOO]- 285.099301 181.8
[M+CH3COO]- 299.114951 203.3
[M+Na-2H]- 261.075766 160.4
[M]+ 240.10055142 149.2
[M]- 240.10164858 149.2
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