CID 11971568

Cor 3790

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CCCN(CC1)C=C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H17NO2/c18-15-12-7-3-4-8-13(12)16(19)14(15)11-17-9-5-1-2-6-10-17/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKey
ZDUJIUPPIMVZOW-UHFFFAOYSA-N
Compound name
2-(azepan-1-ylmethylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 160.6
[M+Na]+ 278.11515 170.3
[M+NH4]+ 273.15975 167.9
[M+K]+ 294.08909 166.1
[M-H]- 254.11865 163.1
[M+Na-2H]- 276.10060 164.9
[M]+ 255.12538 162.5
[M]- 255.12648 162.5
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

patents stripe