CID 392040

Nsc691839

Structural Information

Molecular Formula
C16H13N3O3
SMILES
CC1=NNC(=O)C1C2C=C(OC2=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H13N3O3/c1-8-14(15(20)19-18-8)10-6-13(22-16(10)21)11-7-17-12-5-3-2-4-9(11)12/h2-7,10,14,17H,1H3,(H,19,20)
InChIKey
NMGCSYOUHTZNJN-UHFFFAOYSA-N
Compound name
4-[5-(1H-indol-3-yl)-2-oxo-3H-furan-3-yl]-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 165.3
[M+Na]+ 318.08492 176.2
[M-H]- 294.08842 172.5
[M+NH4]+ 313.12952 180.5
[M+K]+ 334.05886 171.4
[M+H-H2O]+ 278.09296 158.6
[M+HCOO]- 340.09390 184.3
[M+CH3COO]- 354.10955 177.4
[M+Na-2H]- 316.07037 163.9
[M]+ 295.09515 166.1
[M]- 295.09625 166.1
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.