CID 1427939

101001-12-1

Structural Information

Molecular Formula
C20H21NO
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\CCCC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H21NO/c1-21(2)18-12-10-15(11-13-18)14-17-8-5-7-16-6-3-4-9-19(16)20(17)22/h3-4,6,9-14H,5,7-8H2,1-2H3/b17-14+
InChIKey
VWPPUIVJOSQTOP-SAPNQHFASA-N
Compound name
(6E)-6-[[4-(dimethylamino)phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 168.2
[M+Na]+ 314.15154 173.1
[M-H]- 290.15504 177.6
[M+NH4]+ 309.19614 184.1
[M+K]+ 330.12548 173.1
[M+H-H2O]+ 274.15958 161.9
[M+HCOO]- 336.16052 189.0
[M+CH3COO]- 350.17617 179.2
[M+Na-2H]- 312.13699 171.4
[M]+ 291.16177 164.0
[M]- 291.16287 164.0
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.