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 188.6
[M+Na]+ 411.15737 193.7
[M-H]- 387.16087 193.7
[M+NH4]+ 406.20197 193.9
[M+K]+ 427.13131 190.0
[M+H-H2O]+ 371.16541 177.3
[M+HCOO]- 433.16635 195.4
[M+CH3COO]- 447.18200 195.6
[M+Na-2H]- 409.14282 182.9
[M]+ 388.16760 186.9
[M]- 388.16870 186.9
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.