CID 203998

15562-93-3

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCCC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(CC)CC
InChI
InChI=1S/C23H31NO3/c1-4-13-21(24(5-2)6-3)18-27-22(25)23(26,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17,21,26H,4-6,13,18H2,1-3H3
InChIKey
MGKQLVMJDMGTCF-UHFFFAOYSA-N
Compound name
2-(diethylamino)pentyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 193.8
[M+Na]+ 392.219618 195.2
[M-H]- 368.223124 198.8
[M+NH4]+ 387.264223 204.9
[M+K]+ 408.193558 192.5
[M+H-H2O]+ 352.227660 184.8
[M+HCOO]- 414.228601 212.4
[M+CH3COO]- 428.244251 221.2
[M+Na-2H]- 390.205066 194.7
[M]+ 369.22985142 196.4
[M]- 369.23094858 196.4
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.