CID 3077076

133381-53-0

Structural Information

Molecular Formula
C27H24N4O
SMILES
CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C4=NN(C(C4)C5=CC=CC=C5)C(=O)C
InChI
InChI=1S/C27H24N4O/c1-18-23(21-12-6-9-15-25(21)29-18)17-28-24-14-8-7-13-22(24)26-16-27(31(30-26)19(2)32)20-10-4-3-5-11-20/h3-15,17,27,29H,16H2,1-2H3
InChIKey
ZLPRUWWYBPDDPO-UHFFFAOYSA-N
Compound name
1-[5-[2-[(2-methyl-1H-indol-3-yl)methylideneamino]phenyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.195 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20228 204.1
[M+Na]+ 443.18422 212.2
[M-H]- 419.18772 215.0
[M+NH4]+ 438.22882 213.9
[M+K]+ 459.15816 203.6
[M+H-H2O]+ 403.19226 192.4
[M+HCOO]- 465.19320 224.2
[M+CH3COO]- 479.20885 213.1
[M+Na-2H]- 441.16967 202.5
[M]+ 420.19445 204.7
[M]- 420.19555 204.7
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.