CID 206708

28478-49-1

Structural Information

Molecular Formula
C16H24ClN2O3
SMILES
CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)O)Cl)C
InChI
InChI=1S/C16H23ClN2O3/c1-4-19(2)7-5-6-11(19)10-18-16(21)12-8-13(17)14(20)9-15(12)22-3/h8-9,11H,4-7,10H2,1-3H3,(H-,18,20,21)/p+1
InChIKey
LNDSTBOZYIAZQH-UHFFFAOYSA-O
Compound name
5-chloro-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14755 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15483 174.0
[M+Na]+ 350.13677 181.0
[M-H]- 326.14027 178.2
[M+NH4]+ 345.18137 190.7
[M+K]+ 366.11071 170.6
[M+H-H2O]+ 310.14481 170.9
[M+HCOO]- 372.14575 188.6
[M+CH3COO]- 386.16140 199.8
[M+Na-2H]- 348.12222 176.2
[M]+ 327.14700 174.7
[M]- 327.14810 174.7
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.