CID 3088213

1-(2-((1-phenyl-1h-tetrazol-5-yl)thio)-3-(1-piperidinyl)propyl)-2-pyrrolidinone hydrochloride

Structural Information

Molecular Formula
C19H26N6OS
SMILES
C1CCN(CC1)CC(CN2CCCC2=O)SC3=NN=NN3C4=CC=CC=C4
InChI
InChI=1S/C19H26N6OS/c26-18-10-7-13-24(18)15-17(14-23-11-5-2-6-12-23)27-19-20-21-22-25(19)16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
InChIKey
NXCGHONEGSVWEA-UHFFFAOYSA-N
Compound name
1-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-piperidin-1-ylpropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19615 190.2
[M+Na]+ 409.17809 194.8
[M-H]- 385.18159 194.5
[M+NH4]+ 404.22269 196.9
[M+K]+ 425.15203 189.4
[M+H-H2O]+ 369.18613 178.3
[M+HCOO]- 431.18707 197.2
[M+CH3COO]- 445.20272 196.8
[M+Na-2H]- 407.16354 183.8
[M]+ 386.18832 187.1
[M]- 386.18942 187.1
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.