CID 135888090

Brn 4600786

Structural Information

Molecular Formula
C27H24N4O2
SMILES
CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43)C5=CC=CC=C5OC
InChI
InChI=1S/C27H24N4O2/c1-18(32)31-26(22-11-5-8-14-27(22)33-2)15-25(30-31)21-10-4-7-13-24(21)29-17-19-16-28-23-12-6-3-9-20(19)23/h3-14,16-17,26,28H,15H2,1-2H3
InChIKey
FGOAGHULIHJJCJ-UHFFFAOYSA-N
Compound name
1-[5-[2-(1H-indol-3-ylmethylideneamino)phenyl]-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1899 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 206.6
[M+Na]+ 459.17912 214.3
[M-H]- 435.18262 217.5
[M+NH4]+ 454.22372 215.6
[M+K]+ 475.15306 206.6
[M+H-H2O]+ 419.18716 194.8
[M+HCOO]- 481.18810 226.9
[M+CH3COO]- 495.20375 215.5
[M+Na-2H]- 457.16457 205.2
[M]+ 436.18935 208.5
[M]- 436.19045 208.5
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.