CID 9574470

1h-pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl-, (6-cyclohexyl-4-quinolinyl)hydrazone

Structural Information

Molecular Formula
C28H30N4
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC3=C4C=C(C=CC4=NC=C3)C5CCCCC5
InChI
InChI=1S/C28H30N4/c1-20-17-24(21(2)32(20)25-11-7-4-8-12-25)19-30-31-28-15-16-29-27-14-13-23(18-26(27)28)22-9-5-3-6-10-22/h4,7-8,11-19,22H,3,5-6,9-10H2,1-2H3,(H,29,31)/b30-19+
InChIKey
OLROOOWDGBTMLN-NDZAJKAJSA-N
Compound name
6-cyclohexyl-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.24704 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25432 205.6
[M+Na]+ 445.23626 211.3
[M-H]- 421.23976 217.1
[M+NH4]+ 440.28086 215.0
[M+K]+ 461.21020 202.6
[M+H-H2O]+ 405.24430 192.4
[M+HCOO]- 467.24524 226.1
[M+CH3COO]- 481.26089 213.8
[M+Na-2H]- 443.22171 206.7
[M]+ 422.24649 203.2
[M]- 422.24759 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.