CID 110889

Brn 1152834

Structural Information

Molecular Formula
C16H21N3O3
SMILES
C1CC2=CC=CC=C2C1NC(=O)NC(=O)CC3CNCCO3
InChI
InChI=1S/C16H21N3O3/c20-15(9-12-10-17-7-8-22-12)19-16(21)18-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14,17H,5-10H2,(H2,18,19,20,21)
InChIKey
LWIKSMMZIKRDSR-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-2-morpholin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 169.4
[M+Na]+ 326.14752 171.0
[M-H]- 302.15102 173.3
[M+NH4]+ 321.19212 182.2
[M+K]+ 342.12146 168.4
[M+H-H2O]+ 286.15556 161.0
[M+HCOO]- 348.15650 185.2
[M+CH3COO]- 362.17215 203.1
[M+Na-2H]- 324.13297 171.4
[M]+ 303.15775 162.7
[M]- 303.15885 162.7
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.