CID 3038232

N-butyl-3-(n-methylanilino)thio-1-pyrrolidinecarboxamide hydrochloride

Structural Information

Molecular Formula
C16H25N3S
SMILES
CCCCNC(=S)N1CCC(C1)N(C)C2=CC=CC=C2
InChI
InChI=1S/C16H25N3S/c1-3-4-11-17-16(20)19-12-10-15(13-19)18(2)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,17,20)
InChIKey
KHIVUJKOWAUJEF-UHFFFAOYSA-N
Compound name
N-butyl-3-(N-methylanilino)pyrrolidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1769 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18418 170.9
[M+Na]+ 314.16612 179.4
[M+NH4]+ 309.21072 179.0
[M+K]+ 330.14006 172.4
[M-H]- 290.16962 175.2
[M+Na-2H]- 312.15157 176.3
[M]+ 291.17635 173.5
[M]- 291.17745 173.5
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.