CID 3077811

Brn 5349668

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCOC=NC1=C(C2(CCCCC2)CC3=CC=CC=C31)C#N
InChI
InChI=1S/C19H22N2O/c1-2-22-14-21-18-16-9-5-4-8-15(16)12-19(17(18)13-20)10-6-3-7-11-19/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3
InChIKey
IGMHKMWRLGLCGX-UHFFFAOYSA-N
Compound name
ethyl N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)methanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 172.1
[M+Na]+ 317.16244 180.9
[M-H]- 293.16594 177.7
[M+NH4]+ 312.20704 189.2
[M+K]+ 333.13638 172.3
[M+H-H2O]+ 277.17048 157.9
[M+HCOO]- 339.17142 188.5
[M+CH3COO]- 353.18707 181.4
[M+Na-2H]- 315.14789 176.9
[M]+ 294.17267 164.6
[M]- 294.17377 164.6
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.