CID 135888088

Brn 4593506

Structural Information

Molecular Formula
C26H21ClN4O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C26H21ClN4O/c1-17(32)31-26(18-7-6-8-20(27)13-18)14-25(30-31)22-10-3-5-12-24(22)29-16-19-15-28-23-11-4-2-9-21(19)23/h2-13,15-16,26,28H,14H2,1H3
InChIKey
IWYMFUFJXYGXJK-UHFFFAOYSA-N
Compound name
1-[3-(3-chlorophenyl)-5-[2-(1H-indol-3-ylmethylideneamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.14038 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14766 207.1
[M+Na]+ 463.12960 224.3
[M+NH4]+ 458.17420 214.7
[M+K]+ 479.10354 217.5
[M-H]- 439.13310 214.8
[M+Na-2H]- 461.11505 217.4
[M]+ 440.13983 212.1
[M]- 440.14093 212.1
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.