CID 6331344

Nsc670687

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN(C)CC1CCC/C(=C/C2=CC=C(C=C2)OC)/C1=O
InChI
InChI=1S/C17H23NO2/c1-18(2)12-15-6-4-5-14(17(15)19)11-13-7-9-16(20-3)10-8-13/h7-11,15H,4-6,12H2,1-3H3/b14-11-
InChIKey
BZZVSTIKPGXTCG-KAMYIIQDSA-N
Compound name
(6Z)-2-[(dimethylamino)methyl]-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.0
[M+Na]+ 296.16210 169.9
[M-H]- 272.16560 172.3
[M+NH4]+ 291.20670 181.7
[M+K]+ 312.13604 167.3
[M+H-H2O]+ 256.17014 157.1
[M+HCOO]- 318.17108 186.4
[M+CH3COO]- 332.18673 205.6
[M+Na-2H]- 294.14755 166.1
[M]+ 273.17233 164.0
[M]- 273.17343 164.0
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.