CID 116129

63992-12-1

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CN(C1CCC2=CC=CC=C12)C(=O)CCCN3CCOCC3
InChI
InChI=1S/C18H26N2O2/c1-19(17-9-8-15-5-2-3-6-16(15)17)18(21)7-4-10-20-11-13-22-14-12-20/h2-3,5-6,17H,4,7-14H2,1H3
InChIKey
PZGHLRDLAGFBCU-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-morpholin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 174.3
[M+Na]+ 325.18865 176.5
[M-H]- 301.19215 180.6
[M+NH4]+ 320.23325 189.0
[M+K]+ 341.16259 175.0
[M+H-H2O]+ 285.19669 165.4
[M+HCOO]- 347.19763 190.9
[M+CH3COO]- 361.21328 208.4
[M+Na-2H]- 323.17410 175.0
[M]+ 302.19888 171.9
[M]- 302.19998 171.9
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.