CID 391366

Nsc690397

Structural Information

Molecular Formula
C31H23N3O3
SMILES
CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C31H23N3O3/c1-3-37-31(36)25-19(2)32-29-22-16-10-11-17-23(22)30(35)27(29)26(25)24-18-34(21-14-8-5-9-15-21)33-28(24)20-12-6-4-7-13-20/h4-18H,3H2,1-2H3
InChIKey
NESPCIIZNOJNMP-UHFFFAOYSA-N
Compound name
ethyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.17395 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.18123 222.0
[M+Na]+ 508.16317 231.1
[M-H]- 484.16667 234.0
[M+NH4]+ 503.20777 230.0
[M+K]+ 524.13711 223.0
[M+H-H2O]+ 468.17121 209.8
[M+HCOO]- 530.17215 239.1
[M+CH3COO]- 544.18780 230.2
[M+Na-2H]- 506.14862 218.4
[M]+ 485.17340 226.2
[M]- 485.17450 226.2
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.