CID 3051292

Vufb-10668

Structural Information

Molecular Formula
C20H25NO
SMILES
C=CCN(CC=C)CC(=O)C1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C20H25NO/c1-3-11-21(12-4-2)14-19(22)20-17-9-5-7-15(17)13-16-8-6-10-18(16)20/h3-4,13H,1-2,5-12,14H2
InChIKey
YXSYSFOLHZNTJQ-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-enyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 176.7
[M+Na]+ 318.18282 181.3
[M-H]- 294.18632 182.2
[M+NH4]+ 313.22742 197.7
[M+K]+ 334.15676 176.3
[M+H-H2O]+ 278.19086 170.3
[M+HCOO]- 340.19180 196.9
[M+CH3COO]- 354.20745 211.1
[M+Na-2H]- 316.16827 174.8
[M]+ 295.19305 176.4
[M]- 295.19415 176.4
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.