CID 110891

6520-77-0

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]+ 290.18630 170.4
[M+Na]+ 312.16824 176.6
[M+NH4]+ 307.21284 176.9
[M+K]+ 328.14218 174.1
[M-H]- 288.17174 172.4
[M+Na-2H]- 310.15369 172.9
[M]+ 289.17847 171.3
[M]- 289.17957 171.3
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.