CID 211125

Brn 0404082

Structural Information

Molecular Formula
C14H21N3OS
SMILES
CCNC(=O)N1CCC(C1)SN(C)C2=CC=CC=C2
InChI
InChI=1S/C14H21N3OS/c1-3-15-14(18)17-10-9-13(11-17)19-16(2)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,15,18)
InChIKey
IHXIWOBIKUHSMU-UHFFFAOYSA-N
Compound name
N-ethyl-3-(N-methylanilino)sulfanylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14053 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14781 165.9
[M+Na]+ 302.12975 170.2
[M-H]- 278.13325 172.1
[M+NH4]+ 297.17435 182.8
[M+K]+ 318.10369 167.7
[M+H-H2O]+ 262.13779 157.5
[M+HCOO]- 324.13873 183.7
[M+CH3COO]- 338.15438 203.9
[M+Na-2H]- 300.11520 165.2
[M]+ 279.13998 166.0
[M]- 279.14108 166.0
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

No patent data available for this compound.