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 208.4
[M+Na]+ 463.12960 217.6
[M-H]- 439.13310 218.9
[M+NH4]+ 458.17420 218.2
[M+K]+ 479.10354 208.0
[M+H-H2O]+ 423.13764 196.6
[M+HCOO]- 485.13858 224.1
[M+CH3COO]- 499.15423 217.2
[M+Na-2H]- 461.11505 206.5
[M]+ 440.13983 211.0
[M]- 440.14093 211.0
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.