CID 5270530

N'-[cyano(2-furyl)methyl]-2-(2-oxobenzo[g]chromen-4-yl)acetohydrazide

Structural Information

Molecular Formula
C21H15N3O4
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=CC(=O)O3)CC(=O)NNC(C#N)C4=CC=CO4
InChI
InChI=1S/C21H15N3O4/c22-12-17(18-6-3-7-27-18)23-24-20(25)10-15-11-21(26)28-19-9-14-5-2-1-4-13(14)8-16(15)19/h1-9,11,17,23H,10H2,(H,24,25)
InChIKey
JLOADPLEXFMGPP-UHFFFAOYSA-N
Compound name
N'-[cyano(furan-2-yl)methyl]-2-(2-oxobenzo[g]chromen-4-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10626 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 195.6
[M+Na]+ 396.09548 206.1
[M-H]- 372.09898 202.8
[M+NH4]+ 391.14008 205.9
[M+K]+ 412.06942 200.0
[M+H-H2O]+ 356.10352 180.3
[M+HCOO]- 418.10446 213.9
[M+CH3COO]- 432.12011 204.3
[M+Na-2H]- 394.08093 199.9
[M]+ 373.10571 194.4
[M]- 373.10681 194.4
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.