CID 3129

117019-08-6

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C23H38N2O3/c1-2-3-4-5-6-7-11-14-22(26)24-21(19-25-15-17-28-18-16-25)23(27)20-12-9-8-10-13-20/h8-10,12-13,21,23,27H,2-7,11,14-19H2,1H3,(H,24,26)
InChIKey
UYNCFCUHRNOSCN-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl)decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

251
References

1059
Patents

390.28824 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 202.6
[M+Na]+ 413.27746 200.1
[M-H]- 389.28096 203.8
[M+NH4]+ 408.32206 209.0
[M+K]+ 429.25140 197.3
[M+H-H2O]+ 373.28550 192.1
[M+HCOO]- 435.28644 214.6
[M+CH3COO]- 449.30209 222.3
[M+Na-2H]- 411.26291 200.1
[M]+ 390.28769 200.6
[M]- 390.28879 200.6
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