CID 110875

Brn 1158351

Structural Information

Molecular Formula
C18H25N3O3
SMILES
C1CC2=CC=CC=C2C1NC(=O)NC(=O)CCCC3CNCCO3
InChI
InChI=1S/C18H25N3O3/c22-17(7-3-5-14-12-19-10-11-24-14)21-18(23)20-16-9-8-13-4-1-2-6-15(13)16/h1-2,4,6,14,16,19H,3,5,7-12H2,(H2,20,21,22,23)
InChIKey
JIMDOCJYLUTLIL-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-4-morpholin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1896 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 178.2
[M+Na]+ 354.17882 178.9
[M-H]- 330.18232 181.8
[M+NH4]+ 349.22342 189.9
[M+K]+ 370.15276 175.9
[M+H-H2O]+ 314.18686 169.5
[M+HCOO]- 376.18780 193.3
[M+CH3COO]- 390.20345 209.1
[M+Na-2H]- 352.16427 179.2
[M]+ 331.18905 172.2
[M]- 331.19015 172.2
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.