CID 135888089

Brn 4593352

Structural Information

Molecular Formula
C26H21FN4O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43)C5=CC=CC=C5F
InChI
InChI=1S/C26H21FN4O/c1-17(32)31-26(20-9-2-5-11-22(20)27)14-25(30-31)21-10-4-7-13-24(21)29-16-18-15-28-23-12-6-3-8-19(18)23/h2-13,15-16,26,28H,14H2,1H3
InChIKey
PVTGVYSZXNEQDR-UHFFFAOYSA-N
Compound name
1-[3-(2-fluorophenyl)-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

424.16995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17723 202.5
[M+Na]+ 447.15917 211.1
[M-H]- 423.16267 212.2
[M+NH4]+ 442.20377 212.1
[M+K]+ 463.13311 202.2
[M+H-H2O]+ 407.16721 190.0
[M+HCOO]- 469.16815 221.9
[M+CH3COO]- 483.18380 211.4
[M+Na-2H]- 445.14462 200.9
[M]+ 424.16940 202.0
[M]- 424.17050 202.0
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.