CID 695537

2-(4-methoxybenzylidene)-1-tetralone

Structural Information

Molecular Formula
C18H16O2
SMILES
COC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16O2/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-7,10-12H,8-9H2,1H3/b15-12+
InChIKey
QYTJDCMWDKBJFO-NTCAYCPXSA-N
Compound name
(2E)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

74
Patents

264.11502 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 159.7
[M+Na]+ 287.10424 167.3
[M-H]- 263.10774 167.0
[M+NH4]+ 282.14884 177.2
[M+K]+ 303.07818 162.1
[M+H-H2O]+ 247.11228 151.8
[M+HCOO]- 309.11322 180.4
[M+CH3COO]- 323.12887 197.7
[M+Na-2H]- 285.08969 164.6
[M]+ 264.11447 158.5
[M]- 264.11557 158.5
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

patents stripe