CID 110890

1-(2-morpholinopropionyl)-3-(1-indanyl)urea

Structural Information

Molecular Formula
C17H23N3O3
SMILES
C1CC2=CC=CC=C2C1NC(=O)NC(=O)CCC3CNCCO3
InChI
InChI=1S/C17H23N3O3/c21-16(8-6-13-11-18-9-10-23-13)20-17(22)19-15-7-5-12-3-1-2-4-14(12)15/h1-4,13,15,18H,5-11H2,(H2,19,20,21,22)
InChIKey
DRASXCSILCPIRN-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-3-morpholin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 173.8
[M+Na]+ 340.16317 174.9
[M-H]- 316.16667 177.6
[M+NH4]+ 335.20777 186.0
[M+K]+ 356.13711 172.2
[M+H-H2O]+ 300.17121 165.3
[M+HCOO]- 362.17215 189.3
[M+CH3COO]- 376.18780 206.1
[M+Na-2H]- 338.14862 175.3
[M]+ 317.17340 167.5
[M]- 317.17450 167.5
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.