CID 18551

Benapryzine hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H27NO3/c1-3-15-22(4-2)16-17-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,24H,3-4,15-17H2,1-2H3
InChIKey
PYPJRLVCFAVWFR-UHFFFAOYSA-N
Compound name
2-[ethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

341.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.9
[M+Na]+ 364.18832 195.7
[M+NH4]+ 359.23292 191.4
[M+K]+ 380.16226 189.1
[M-H]- 340.19182 188.2
[M+Na-2H]- 362.17377 192.3
[M]+ 341.19855 187.3
[M]- 341.19965 187.3
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