CID 3025132

102207-27-2

Structural Information

Molecular Formula
C19H29N2O2
SMILES
CCN(CC)C(=O)C[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C
InChI
InChI=1S/C19H29N2O2/c1-4-20(5-2)18(23)15-21(3)13-11-19(16-22,12-14-21)17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3/q+1
InChIKey
UJQZPGBDEWRAGF-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(4-formyl-1-methyl-4-phenylpiperidin-1-ium-1-yl)acetamide
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 176.7
[M+Na]+ 340.21212 180.2
[M-H]- 316.21562 182.2
[M+NH4]+ 335.25672 193.4
[M+K]+ 356.18606 172.4
[M+H-H2O]+ 300.22016 171.2
[M+HCOO]- 362.22110 194.6
[M+CH3COO]- 376.23675 204.7
[M+Na-2H]- 338.19757 181.6
[M]+ 317.22235 174.3
[M]- 317.22345 174.3
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.