CID 214128

27722-09-4

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCN(CC)CCC(C)OC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H31NO2/c1-5-24(6-2)18-17-19(3)26-22(25)23(4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,5-6,17-18H2,1-4H3
InChIKey
VSJFVZNBSQWBMZ-UHFFFAOYSA-N
Compound name
4-(diethylamino)butan-2-yl 2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 190.7
[M+Na]+ 376.22469 192.7
[M-H]- 352.22819 197.2
[M+NH4]+ 371.26929 203.3
[M+K]+ 392.19863 190.2
[M+H-H2O]+ 336.23273 181.6
[M+HCOO]- 398.23367 210.6
[M+CH3COO]- 412.24932 221.7
[M+Na-2H]- 374.21014 191.9
[M]+ 353.23492 193.8
[M]- 353.23602 193.8
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.