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]+ 374.17508 192.6
[M+Na]+ 396.15702 202.1
[M-H]- 372.16052 198.0
[M+NH4]+ 391.20162 204.3
[M+K]+ 412.13096 191.5
[M+H-H2O]+ 356.16506 176.9
[M+HCOO]- 418.16600 203.2
[M+CH3COO]- 432.18165 200.0
[M+Na-2H]- 394.14247 192.0
[M]+ 373.16725 185.2
[M]- 373.16835 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.