CID 65527

Metamizil

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCN(CC)CC(C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-4-22(5-2)16-17(3)25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,24H,4-5,16H2,1-3H3
InChIKey
QTLYTFJMPQZTRQ-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

0
Patents

341.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.6
[M+Na]+ 364.18832 186.9
[M-H]- 340.19182 190.1
[M+NH4]+ 359.23292 196.9
[M+K]+ 380.16226 184.7
[M+H-H2O]+ 324.19636 176.0
[M+HCOO]- 386.19730 203.9
[M+CH3COO]- 400.21295 215.4
[M+Na-2H]- 362.17377 186.6
[M]+ 341.19855 186.6
[M]- 341.19965 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe