CID 210115

N,n-diethyl-3-(n-methylanilino)-1-pyrrolidinecarboxamide dihydrochloride

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCN(CC)C(=O)N1CCC(C1)N(C)C2=CC=CC=C2
InChI
InChI=1S/C16H25N3O/c1-4-18(5-2)16(20)19-12-11-15(13-19)17(3)14-9-7-6-8-10-14/h6-10,15H,4-5,11-13H2,1-3H3
InChIKey
KDJZOHADYIPHIX-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(N-methylanilino)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 168.6
[M+Na]+ 298.18899 171.7
[M-H]- 274.19249 175.8
[M+NH4]+ 293.23359 185.5
[M+K]+ 314.16293 171.0
[M+H-H2O]+ 258.19703 159.4
[M+HCOO]- 320.19797 191.4
[M+CH3COO]- 334.21362 209.8
[M+Na-2H]- 296.17444 168.6
[M]+ 275.19922 168.2
[M]- 275.20032 168.2
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