CID 3076562

Brn 4748067

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(=NC1=CC(=O)CC(C1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C16H20N2O/c1-12(18(2)3)17-15-9-14(10-16(19)11-15)13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3
InChIKey
UPLVKRZGKNKOCD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(3-oxo-5-phenylcyclohexen-1-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.5
[M+Na]+ 279.14678 165.4
[M-H]- 255.15028 169.4
[M+NH4]+ 274.19138 178.0
[M+K]+ 295.12072 163.5
[M+H-H2O]+ 239.15482 152.2
[M+HCOO]- 301.15576 185.1
[M+CH3COO]- 315.17141 206.7
[M+Na-2H]- 277.13223 163.3
[M]+ 256.15701 159.2
[M]- 256.15811 159.2
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.