CID 699509

2-[4-(dimethylamino)benzyl]-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN(C)C1=CC=C(C=C1)CC2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17NO2/c1-19(2)13-9-7-12(8-10-13)11-16-17(20)14-5-3-4-6-15(14)18(16)21/h3-10,16H,11H2,1-2H3
InChIKey
AQIIYOOEJQOCQO-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]methyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 163.9
[M+Na]+ 302.11514 172.4
[M-H]- 278.11864 173.4
[M+NH4]+ 297.15974 183.3
[M+K]+ 318.08908 168.5
[M+H-H2O]+ 262.12318 156.6
[M+HCOO]- 324.12412 188.4
[M+CH3COO]- 338.13977 207.2
[M+Na-2H]- 300.10059 166.2
[M]+ 279.12537 166.0
[M]- 279.12647 166.0
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.