CID 9574469

6-cyclohexyl-n-[(e)-(4-methoxy-1-naphthyl)methyleneamino]quinolin-4-amine

Structural Information

Molecular Formula
C27H27N3O
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=N/NC3=C4C=C(C=CC4=NC=C3)C5CCCCC5
InChI
InChI=1S/C27H27N3O/c1-31-27-14-12-21(22-9-5-6-10-23(22)27)18-29-30-26-15-16-28-25-13-11-20(17-24(25)26)19-7-3-2-4-8-19/h5-6,9-19H,2-4,7-8H2,1H3,(H,28,30)/b29-18+
InChIKey
ADLSOIARSIIUHY-RDRPBHBLSA-N
Compound name
6-cyclohexyl-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.21542 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22270 198.7
[M+Na]+ 432.20464 203.7
[M-H]- 408.20814 208.4
[M+NH4]+ 427.24924 208.8
[M+K]+ 448.17858 196.1
[M+H-H2O]+ 392.21268 185.6
[M+HCOO]- 454.21362 218.4
[M+CH3COO]- 468.22927 206.9
[M+Na-2H]- 430.19009 204.8
[M]+ 409.21487 196.6
[M]- 409.21597 196.6
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.