CID 659756

1-(3-(4-morpholinyl)-2-((1-phenyl-1h-tetrazol-5-yl)thio)propyl)-2-pyrrolidinone hydrochloride

Structural Information

Molecular Formula
C18H24N6O2S
SMILES
C1CC(=O)N(C1)CC(CN2CCOCC2)SC3=NN=NN3C4=CC=CC=C4
InChI
InChI=1S/C18H24N6O2S/c25-17-7-4-8-23(17)14-16(13-22-9-11-26-12-10-22)27-18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKey
ZJDOKZPRPXXILV-UHFFFAOYSA-N
Compound name
1-[3-morpholin-4-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

388.16815 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17543 187.2
[M+Na]+ 411.15737 198.0
[M+NH4]+ 406.20197 192.4
[M+K]+ 427.13131 194.6
[M-H]- 387.16087 191.4
[M+Na-2H]- 409.14282 192.6
[M]+ 388.16760 190.1
[M]- 388.16870 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.