CID 3053607

70166-89-1

Structural Information

Molecular Formula
C21H25N3O4
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25N3O4/c1-28-18-10-6-5-9-17(18)22-20(26)23-19(25)15-24-13-11-21(27,12-14-24)16-7-3-2-4-8-16/h2-10,27H,11-15H2,1H3,(H2,22,23,25,26)
InChIKey
GMFLJHDFHFHVFJ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.191776 190.7
[M+Na]+ 406.173718 192.8
[M-H]- 382.177224 196.6
[M+NH4]+ 401.218323 200.5
[M+K]+ 422.147658 189.4
[M+H-H2O]+ 366.181760 180.5
[M+HCOO]- 428.182701 208.1
[M+CH3COO]- 442.198351 219.0
[M+Na-2H]- 404.159166 193.1
[M]+ 383.18395142 186.6
[M]- 383.18504858 186.6
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.