CID 72946782

Santacruzamate a

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCOC(=O)NCCCC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKey
HTOYBIILVCHURC-UHFFFAOYSA-N
Compound name
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

204
Patents

278.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.6
[M+Na]+ 301.15228 170.6
[M-H]- 277.15578 170.0
[M+NH4]+ 296.19688 182.6
[M+K]+ 317.12622 168.6
[M+H-H2O]+ 261.16032 159.5
[M+HCOO]- 323.16126 191.2
[M+CH3COO]- 337.17691 203.4
[M+Na-2H]- 299.13773 170.6
[M]+ 278.16251 169.4
[M]- 278.16361 169.4
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