CID 110891

Brn 2877721

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CCC(C(=O)NC(=O)NC1CCC2=CC=CC=C12)N(C)C
InChI
InChI=1S/C16H23N3O2/c1-4-14(19(2)3)15(20)18-16(21)17-13-10-9-11-7-5-6-8-12(11)13/h5-8,13-14H,4,9-10H2,1-3H3,(H2,17,18,20,21)
InChIKey
OVHNSLYDROUXGZ-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-2-(dimethylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 170.8
[M+Na]+ 312.168238 173.5
[M-H]- 288.171744 175.8
[M+NH4]+ 307.212843 188.5
[M+K]+ 328.142178 172.5
[M+H-H2O]+ 272.176280 163.3
[M+HCOO]- 334.177221 193.4
[M+CH3COO]- 348.192871 212.7
[M+Na-2H]- 310.153686 171.2
[M]+ 289.17847142 169.9
[M]- 289.17956858 169.9
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.