CID 273467

1h-indole-2,3-dione 3-(n-phenylsemicarbazone)

Structural Information

Molecular Formula
C15H12N4O2
SMILES
C1=CC=C(C=C1)NC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C15H12N4O2/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)
InChIKey
FIYNWSNQLJMQAK-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

280.09604 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 158.6
[M+Na]+ 303.08526 166.6
[M-H]- 279.08876 165.9
[M+NH4]+ 298.12986 175.0
[M+K]+ 319.05920 162.1
[M+H-H2O]+ 263.09330 150.0
[M+HCOO]- 325.09424 186.4
[M+CH3COO]- 339.10989 171.0
[M+Na-2H]- 301.07071 167.0
[M]+ 280.09549 159.0
[M]- 280.09659 159.0
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

patents stripe