CID 3071658

Cyclobutanecarboxamide, n-(2-(7-methoxy-1-naphthalenyl)ethyl)-

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)C3CCC3)C=C1
InChI
InChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20)
InChIKey
RDWVOUIULIZQSB-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclobutanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

283.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 164.9
[M+Na]+ 306.14645 168.9
[M-H]- 282.14995 171.4
[M+NH4]+ 301.19105 174.8
[M+K]+ 322.12039 168.6
[M+H-H2O]+ 266.15449 151.4
[M+HCOO]- 328.15543 185.0
[M+CH3COO]- 342.17108 207.3
[M+Na-2H]- 304.13190 168.7
[M]+ 283.15668 173.7
[M]- 283.15778 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe