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]+ 370.23768 193.8
[M+Na]+ 392.21962 195.2
[M-H]- 368.22312 198.8
[M+NH4]+ 387.26422 204.9
[M+K]+ 408.19356 192.5
[M+H-H2O]+ 352.22766 184.8
[M+HCOO]- 414.22860 212.4
[M+CH3COO]- 428.24425 221.2
[M+Na-2H]- 390.20507 194.7
[M]+ 369.22985 196.4
[M]- 369.23095 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.