CID 3052203

F 1541

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CC(C)(C(=O)NCCN1CCCC1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H23ClN2O2/c1-16(2,21-14-7-5-13(17)6-8-14)15(20)18-9-12-19-10-3-4-11-19/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKey
WWVRXZZKNGHASW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.1448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 175.1
[M+Na]+ 333.13402 179.8
[M-H]- 309.13752 179.5
[M+NH4]+ 328.17862 190.5
[M+K]+ 349.10796 175.5
[M+H-H2O]+ 293.14206 167.6
[M+HCOO]- 355.14300 189.8
[M+CH3COO]- 369.15865 204.7
[M+Na-2H]- 331.11947 176.5
[M]+ 310.14425 176.0
[M]- 310.14535 176.0
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

patents stripe