CID 10017305

(e)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

Structural Information

Molecular Formula
C18H12ClNO
SMILES
C1=CC(=CC(=C1)C=O)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2
InChI
InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
InChIKey
JTRDWIOIDMLMNN-XBXARRHUSA-N
Compound name
3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

293.06073 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06801 166.2
[M+Na]+ 316.04995 176.7
[M-H]- 292.05345 172.3
[M+NH4]+ 311.09455 182.2
[M+K]+ 332.02389 168.6
[M+H-H2O]+ 276.05799 157.8
[M+HCOO]- 338.05893 183.5
[M+CH3COO]- 352.07458 178.2
[M+Na-2H]- 314.03540 172.5
[M]+ 293.06018 169.1
[M]- 293.06128 169.1
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

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