CID 210113

Brn 0481229

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCN(CC)C(=O)N1CCC(C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H23N3O/c1-3-17(4-2)15(19)18-11-10-14(12-18)16-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKey
FXGCUDGMZUXYRS-UHFFFAOYSA-N
Compound name
3-anilino-N,N-diethylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 163.8
[M+Na]+ 284.17332 167.1
[M-H]- 260.17682 169.6
[M+NH4]+ 279.21792 180.6
[M+K]+ 300.14726 165.2
[M+H-H2O]+ 244.18136 154.9
[M+HCOO]- 306.18230 186.4
[M+CH3COO]- 320.19795 203.3
[M+Na-2H]- 282.15877 165.0
[M]+ 261.18355 161.7
[M]- 261.18465 161.7
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

patents stripe