CID 366994

Nsc636189

Structural Information

Molecular Formula
C27H24N4O3
SMILES
COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C27H24N4O3/c1-34-22-12-7-11-21(16-22)28-26(32)18-27(33)31-24(19-8-3-2-4-9-19)17-25(29-31)30-15-14-20-10-5-6-13-23(20)30/h2-16,24H,17-18H2,1H3,(H,28,32)
InChIKey
IRSNLNNKVRDLIV-UHFFFAOYSA-N
Compound name
3-(5-indol-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.18484 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 208.0
[M+Na]+ 475.17406 214.1
[M-H]- 451.17756 218.7
[M+NH4]+ 470.21866 215.9
[M+K]+ 491.14800 207.9
[M+H-H2O]+ 435.18210 196.2
[M+HCOO]- 497.18304 227.4
[M+CH3COO]- 511.19869 216.3
[M+Na-2H]- 473.15951 206.7
[M]+ 452.18429 210.2
[M]- 452.18539 210.2
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.