CID 10043746

Lpk-26

Structural Information

Molecular Formula
C18H24Cl2N2O
SMILES
CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H24Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h4-7,10,13,17H,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKey
QFAIAMMFKKYCTL-QGZVFWFLSA-N
Compound name
2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

107
Patents

354.12656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13384 185.4
[M+Na]+ 377.11578 191.0
[M-H]- 353.11928 190.8
[M+NH4]+ 372.16038 200.3
[M+K]+ 393.08972 185.8
[M+H-H2O]+ 337.12382 178.0
[M+HCOO]- 399.12476 195.8
[M+CH3COO]- 413.14041 218.1
[M+Na-2H]- 375.10123 181.3
[M]+ 354.12601 189.4
[M]- 354.12711 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe