CID 210988

22019-35-8

Structural Information

Molecular Formula
C18H19NO3
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)CC#CCN3CCOCC3
InChI
InChI=1S/C18H19NO3/c1-18(8-4-5-9-19-10-12-22-13-11-19)16(20)14-6-2-3-7-15(14)17(18)21/h2-3,6-7H,8-13H2,1H3
InChIKey
AMBGDHQCZJOUBV-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-morpholin-4-ylbut-2-ynyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 168.7
[M+Na]+ 320.125718 179.1
[M-H]- 296.129224 172.5
[M+NH4]+ 315.170323 184.0
[M+K]+ 336.099658 171.2
[M+H-H2O]+ 280.133760 155.2
[M+HCOO]- 342.134701 180.3
[M+CH3COO]- 356.150351 178.1
[M+Na-2H]- 318.111166 170.0
[M]+ 297.13595142 162.3
[M]- 297.13704858 162.3
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.