CID 3076560

Brn 4746706

Structural Information

Molecular Formula
C15H18N2O
SMILES
CN(C)C=NC1=CC(=O)CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O/c1-17(2)11-16-14-8-13(9-15(18)10-14)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKey
KNFYVGHYMIJRDP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(3-oxo-5-phenylcyclohexen-1-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.2
[M+Na]+ 265.13112 169.7
[M+NH4]+ 260.17572 166.0
[M+K]+ 281.10506 161.8
[M-H]- 241.13462 163.3
[M+Na-2H]- 263.11657 166.0
[M]+ 242.14135 160.6
[M]- 242.14245 160.6
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.