CID 135804070

1-azafluorenone semicarbazone

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C2C(=C1)C3=CC=CNC3=C2N=NC(=O)N
InChI
InChI=1S/C13H10N4O/c14-13(18)17-16-12-10-5-2-1-4-8(10)9-6-3-7-15-11(9)12/h1-7,15H,(H2,14,18)
InChIKey
QWKWZBMVPBEQMA-UHFFFAOYSA-N
Compound name
1H-indeno[2,1-b]pyridin-9-yliminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09274 147.4
[M+Na]+ 261.07468 156.9
[M-H]- 237.07818 153.4
[M+NH4]+ 256.11928 167.3
[M+K]+ 277.04862 152.7
[M+H-H2O]+ 221.08272 139.8
[M+HCOO]- 283.08366 174.9
[M+CH3COO]- 297.09931 160.9
[M+Na-2H]- 259.06013 156.8
[M]+ 238.08491 148.0
[M]- 238.08601 148.0
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.