CID 12213932

7-ethoxy-n-[(e)-(9-ethylcarbazol-3-yl)methyleneamino]-2-methyl-quinolin-4-amine

Structural Information

Molecular Formula
C27H26N4O
SMILES
CCN1C2=C(C=C(C=C2)/C=N/NC3=C4C=CC(=CC4=NC(=C3)C)OCC)C5=CC=CC=C51
InChI
InChI=1S/C27H26N4O/c1-4-31-26-9-7-6-8-21(26)23-15-19(10-13-27(23)31)17-28-30-25-14-18(3)29-24-16-20(32-5-2)11-12-22(24)25/h6-17H,4-5H2,1-3H3,(H,29,30)/b28-17+
InChIKey
KXBAPFYTBUVARR-OGLMXYFKSA-N
Compound name
7-ethoxy-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.21066 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21794 206.2
[M+Na]+ 445.19988 216.7
[M-H]- 421.20338 215.0
[M+NH4]+ 440.24448 218.7
[M+K]+ 461.17382 208.4
[M+H-H2O]+ 405.20792 194.3
[M+HCOO]- 467.20886 229.4
[M+CH3COO]- 481.22451 216.2
[M+Na-2H]- 443.18533 212.1
[M]+ 422.21011 213.3
[M]- 422.21121 213.3
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.