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 155.5
[M+Na]+ 265.13112 160.9
[M-H]- 241.13462 164.4
[M+NH4]+ 260.17572 173.5
[M+K]+ 281.10506 158.8
[M+H-H2O]+ 225.13916 147.1
[M+HCOO]- 287.14010 181.3
[M+CH3COO]- 301.15575 203.5
[M+Na-2H]- 263.11657 160.0
[M]+ 242.14135 154.4
[M]- 242.14245 154.4
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.