CID 17479

2618-50-0

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO2/c1-19(2)13-14-21-18(20)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
DUHVHRGNHUTXDR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 168.9
[M+Na]+ 306.14645 172.6
[M-H]- 282.14995 176.0
[M+NH4]+ 301.19105 184.2
[M+K]+ 322.12039 170.6
[M+H-H2O]+ 266.15449 160.1
[M+HCOO]- 328.15543 192.0
[M+CH3COO]- 342.17108 206.6
[M+Na-2H]- 304.13190 171.9
[M]+ 283.15668 170.6
[M]- 283.15778 170.6
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