CID 3063035

99691-47-1

Structural Information

Molecular Formula
C19H29N2O2
SMILES
CC[N+](C)(CC)CC(=O)N1CCC(CC1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C19H29N2O2/c1-4-21(3,5-2)15-18(23)20-13-11-19(16-22,12-14-20)17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3/q+1
InChIKey
GESFQRNEDDMZAG-UHFFFAOYSA-N
Compound name
diethyl-[2-(4-formyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2229 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.23018 177.4
[M+Na]+ 340.21212 180.6
[M-H]- 316.21562 182.8
[M+NH4]+ 335.25672 192.3
[M+K]+ 356.18606 172.4
[M+H-H2O]+ 300.22016 171.8
[M+HCOO]- 362.22110 194.7
[M+CH3COO]- 376.23675 204.6
[M+Na-2H]- 338.19757 183.4
[M]+ 317.22235 174.8
[M]- 317.22345 174.8
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.