CID 3077072

133381-49-4

Structural Information

Molecular Formula
C34H30N4O2
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC=C4C5=NN(C(C5)C6=CC=CC=C6OC)C(=O)C
InChI
InChI=1S/C34H30N4O2/c1-22-16-18-24(19-17-22)34-28(25-10-4-8-14-30(25)36-34)21-35-29-13-7-5-11-26(29)31-20-32(38(37-31)23(2)39)27-12-6-9-15-33(27)40-3/h4-19,21,32,36H,20H2,1-3H3
InChIKey
ZLCXINFDEKGGLD-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxyphenyl)-5-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2369 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.24418 231.9
[M+Na]+ 549.22612 238.9
[M-H]- 525.22962 245.6
[M+NH4]+ 544.27072 236.8
[M+K]+ 565.20006 229.8
[M+H-H2O]+ 509.23416 218.6
[M+HCOO]- 571.23510 250.3
[M+CH3COO]- 585.25075 238.9
[M+Na-2H]- 547.21157 227.4
[M]+ 526.23635 233.9
[M]- 526.23745 233.9
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.