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]+ 298.14378 168.7
[M+Na]+ 320.12572 179.1
[M-H]- 296.12922 172.5
[M+NH4]+ 315.17032 184.0
[M+K]+ 336.09966 171.2
[M+H-H2O]+ 280.13376 155.2
[M+HCOO]- 342.13470 180.3
[M+CH3COO]- 356.15035 178.1
[M+Na-2H]- 318.11117 170.0
[M]+ 297.13595 162.3
[M]- 297.13705 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.