CID 3022134

Brn 4581416

Structural Information

Molecular Formula
C26H22N4O
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C26H22N4O/c1-18(31)30-26(19-9-3-2-4-10-19)15-25(29-30)22-12-6-8-14-24(22)28-17-20-16-27-23-13-7-5-11-21(20)23/h2-14,16-17,26-27H,15H2,1H3
InChIKey
RGYDXUMZQKKRNE-UHFFFAOYSA-N
Compound name
1-[5-[2-(1H-indol-3-ylmethylideneamino)phenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.17935 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18663 198.7
[M+Na]+ 429.16857 206.4
[M-H]- 405.17207 209.4
[M+NH4]+ 424.21317 208.8
[M+K]+ 445.14251 198.0
[M+H-H2O]+ 389.17661 187.0
[M+HCOO]- 451.17755 219.2
[M+CH3COO]- 465.19320 207.9
[M+Na-2H]- 427.15402 198.5
[M]+ 406.17880 198.7
[M]- 406.17990 198.7
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.