CID 695479

103660-34-0

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CN\2CCC1C(=O)/C2=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H17NO/c20-18-14-8-10-19(11-9-14)17(18)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-7,12,14H,8-11H2/b17-12-
InChIKey
AJHSKARRJJFMLZ-ATVHPVEESA-N
Compound name
(2Z)-2-(naphthalen-1-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 155.8
[M+Na]+ 286.12022 160.3
[M-H]- 262.12372 154.9
[M+NH4]+ 281.16482 175.8
[M+K]+ 302.09416 154.4
[M+H-H2O]+ 246.12826 147.1
[M+HCOO]- 308.12920 165.1
[M+CH3COO]- 322.14485 164.8
[M+Na-2H]- 284.10567 165.9
[M]+ 263.13045 154.7
[M]- 263.13155 154.7
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.