CID 53171

Brn 1656669

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC=C(N1NC(=O)COC2=CC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C18H18N2O2/c1-13-7-8-14(2)20(13)19-18(21)12-22-17-10-9-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3,(H,19,21)
InChIKey
CWKFHXUJQXOFLB-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-naphthalen-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.3
[M+Na]+ 317.12606 177.3
[M-H]- 293.12956 175.5
[M+NH4]+ 312.17066 185.1
[M+K]+ 333.10000 172.6
[M+H-H2O]+ 277.13410 159.9
[M+HCOO]- 339.13504 192.7
[M+CH3COO]- 353.15069 205.7
[M+Na-2H]- 315.11151 172.8
[M]+ 294.13629 172.2
[M]- 294.13739 172.2
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.