CID 1549207

2-(4-(diethylamino)benzylidene)-1-tetralone

Structural Information

Molecular Formula
C21H23NO
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C\2/CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C21H23NO/c1-3-22(4-2)19-13-9-16(10-14-19)15-18-12-11-17-7-5-6-8-20(17)21(18)23/h5-10,13-15H,3-4,11-12H2,1-2H3/b18-15-
InChIKey
RUPYBKQBTCRLEJ-SDXDJHTJSA-N
Compound name
(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 174.0
[M+Na]+ 328.167198 179.4
[M-H]- 304.170704 181.9
[M+NH4]+ 323.211803 190.1
[M+K]+ 344.141138 174.3
[M+H-H2O]+ 288.175240 165.1
[M+HCOO]- 350.176181 194.9
[M+CH3COO]- 364.191831 212.8
[M+Na-2H]- 326.152646 176.8
[M]+ 305.17743142 172.8
[M]- 305.17852858 172.8
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.