CID 366992

Nsc636187

Structural Information

Molecular Formula
C26H21ClN4O2
SMILES
C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C26H21ClN4O2/c27-20-10-12-21(13-11-20)28-25(32)17-26(33)31-23(18-6-2-1-3-7-18)16-24(29-31)30-15-14-19-8-4-5-9-22(19)30/h1-15,23H,16-17H2,(H,28,32)
InChIKey
VZKAHNOMOTTXEE-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(5-indol-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.1353 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14258 209.3
[M+Na]+ 479.12452 217.0
[M-H]- 455.12802 219.8
[M+NH4]+ 474.16912 218.1
[M+K]+ 495.09846 208.9
[M+H-H2O]+ 439.13256 197.6
[M+HCOO]- 501.13350 224.3
[M+CH3COO]- 515.14915 217.7
[M+Na-2H]- 477.10997 207.6
[M]+ 456.13475 212.4
[M]- 456.13585 212.4
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.