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 199.7
[M+Na]+ 429.16857 215.7
[M+NH4]+ 424.21317 207.1
[M+K]+ 445.14251 209.8
[M-H]- 405.17207 207.3
[M+Na-2H]- 427.15402 210.3
[M]+ 406.17880 204.2
[M]- 406.17990 204.2
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.