CID 1549206

72700-02-8

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-OBGWFSINSA-N
Compound name
(2E)-2-[[4-(diethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 306.18526 174.0
[M+Na]+ 328.16720 179.4
[M-H]- 304.17070 181.9
[M+NH4]+ 323.21180 190.1
[M+K]+ 344.14114 174.3
[M+H-H2O]+ 288.17524 165.1
[M+HCOO]- 350.17618 194.9
[M+CH3COO]- 364.19183 212.8
[M+Na-2H]- 326.15265 176.8
[M]+ 305.17743 172.8
[M]- 305.17853 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

literature stripe

Patent stripe

No patent data available for this compound.