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 170.8
[M+Na]+ 312.16824 173.5
[M-H]- 288.17174 175.8
[M+NH4]+ 307.21284 188.5
[M+K]+ 328.14218 172.5
[M+H-H2O]+ 272.17628 163.3
[M+HCOO]- 334.17722 193.4
[M+CH3COO]- 348.19287 212.7
[M+Na-2H]- 310.15369 171.2
[M]+ 289.17847 169.9
[M]- 289.17957 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.