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 171.3
[M+Na]+ 314.16612 175.0
[M-H]- 290.16962 177.1
[M+NH4]+ 309.21072 187.8
[M+K]+ 330.14006 171.4
[M+H-H2O]+ 274.17416 162.8
[M+HCOO]- 336.17510 188.2
[M+CH3COO]- 350.19075 207.9
[M+Na-2H]- 312.15157 169.5
[M]+ 291.17635 170.8
[M]- 291.17745 170.8
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