CID 210982

22019-30-3

Structural Information

Molecular Formula
C24H23NO3
SMILES
C1COCCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H23NO3/c26-22-20-10-4-5-11-21(20)23(27)24(22,18-19-8-2-1-3-9-19)12-6-7-13-25-14-16-28-17-15-25/h1-5,8-11H,12-18H2
InChIKey
XTPSAJGHXVLRRG-UHFFFAOYSA-N
Compound name
2-benzyl-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

373.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.175076 192.6
[M+Na]+ 396.157018 202.1
[M-H]- 372.160524 198.0
[M+NH4]+ 391.201623 204.3
[M+K]+ 412.130958 191.5
[M+H-H2O]+ 356.165060 176.9
[M+HCOO]- 418.166001 203.2
[M+CH3COO]- 432.181651 200.0
[M+Na-2H]- 394.142466 192.0
[M]+ 373.16725142 185.2
[M]- 373.16834858 185.2
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.