CID 488955

Chembl95652

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCN(CCN(C)C)CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-4-25(16-15-24(2)3)18-21-17-23(22(26)27-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,4,15-18H2,1-3H3
InChIKey
FSKBJYVHCHUQQA-UHFFFAOYSA-N
Compound name
5-[[2-(dimethylamino)ethyl-ethylamino]methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 192.2
[M+Na]+ 389.21996 195.6
[M-H]- 365.22346 204.3
[M+NH4]+ 384.26456 207.0
[M+K]+ 405.19390 194.1
[M+H-H2O]+ 349.22800 182.8
[M+HCOO]- 411.22894 215.5
[M+CH3COO]- 425.24459 226.9
[M+Na-2H]- 387.20541 193.1
[M]+ 366.23019 194.6
[M]- 366.23129 194.6
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.