CID 210978

22019-26-7

Structural Information

Molecular Formula
C24H25NO2
SMILES
CCN(CC)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C24H25NO2/c1-3-25(4-2)17-11-10-16-24(18-19-12-6-5-7-13-19)22(26)20-14-8-9-15-21(20)23(24)27/h5-9,12-15H,3-4,16-18H2,1-2H3
InChIKey
ZJRDUSOUCMUSRA-UHFFFAOYSA-N
Compound name
2-benzyl-2-[4-(diethylamino)but-2-ynyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 195.0
[M+Na]+ 382.17776 205.1
[M-H]- 358.18126 200.7
[M+NH4]+ 377.22236 210.8
[M+K]+ 398.15170 194.9
[M+H-H2O]+ 342.18580 181.0
[M+HCOO]- 404.18674 211.5
[M+CH3COO]- 418.20239 224.3
[M+Na-2H]- 380.16321 194.3
[M]+ 359.18799 192.1
[M]- 359.18909 192.1
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.