CID 53170

Brn 1656713

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC=C(N1NC(=O)COC2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C18H18N2O2/c1-13-10-11-14(2)20(13)19-18(21)12-22-17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12H2,1-2H3,(H,19,21)
InChIKey
NFTFGNHDRVLWDZ-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-naphthalen-1-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 168.3
[M+Na]+ 317.126058 177.3
[M-H]- 293.129564 175.5
[M+NH4]+ 312.170663 185.1
[M+K]+ 333.099998 172.6
[M+H-H2O]+ 277.134100 159.9
[M+HCOO]- 339.135041 192.7
[M+CH3COO]- 353.150691 205.7
[M+Na-2H]- 315.111506 172.8
[M]+ 294.13629142 172.2
[M]- 294.13738858 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.