CID 53723

Brn 5585257

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC1(CC(C(=O)O1)N2C3=CC=CC=C3C=C2CC(=O)N)C
InChI
InChI=1S/C16H18N2O3/c1-16(2)9-13(15(20)21-16)18-11(8-14(17)19)7-10-5-3-4-6-12(10)18/h3-7,13H,8-9H2,1-2H3,(H2,17,19)
InChIKey
URJGVMLWYVRZFL-UHFFFAOYSA-N
Compound name
2-[1-(5,5-dimethyl-2-oxooxolan-3-yl)indol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.3
[M+Na]+ 309.12096 174.1
[M-H]- 285.12446 172.1
[M+NH4]+ 304.16556 183.9
[M+K]+ 325.09490 171.3
[M+H-H2O]+ 269.12900 158.5
[M+HCOO]- 331.12994 186.2
[M+CH3COO]- 345.14559 202.8
[M+Na-2H]- 307.10641 165.8
[M]+ 286.13119 166.9
[M]- 286.13229 166.9
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.