CID 3064451

C 5407

Structural Information

Molecular Formula
C16H24ClN3O
SMILES
CC(C(=O)NC1=CC=CC=C1Cl)N(C)CCN2CCCC2
InChI
InChI=1S/C16H24ClN3O/c1-13(19(2)11-12-20-9-5-6-10-20)16(21)18-15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,21)
InChIKey
XAYBNRFRWJAARD-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1608 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16808 176.4
[M+Na]+ 332.15002 179.7
[M-H]- 308.15352 181.9
[M+NH4]+ 327.19462 191.9
[M+K]+ 348.12396 176.1
[M+H-H2O]+ 292.15806 167.9
[M+HCOO]- 354.15900 193.0
[M+CH3COO]- 368.17465 211.5
[M+Na-2H]- 330.13547 175.3
[M]+ 309.16025 176.3
[M]- 309.16135 176.3
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

patents stripe