CID 132329998

2-[1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidin-4-yl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C20H25N3O2S
SMILES
C1CN(CCC1C2CC(CCO2)N)C(=O)C3=CC(=NS3)C4=CC=CC=C4
InChI
InChI=1S/C20H25N3O2S/c21-16-8-11-25-18(12-16)15-6-9-23(10-7-15)20(24)19-13-17(22-26-19)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12,21H2
InChIKey
CIUVKQCFBWQFIS-UHFFFAOYSA-N
Compound name
[4-(4-aminooxan-2-yl)piperidin-1-yl]-(3-phenyl-1,2-thiazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16675 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17403 187.7
[M+Na]+ 394.15597 190.8
[M-H]- 370.15947 196.6
[M+NH4]+ 389.20057 196.8
[M+K]+ 410.12991 186.4
[M+H-H2O]+ 354.16401 177.9
[M+HCOO]- 416.16495 196.9
[M+CH3COO]- 430.18060 195.3
[M+Na-2H]- 392.14142 183.5
[M]+ 371.16620 181.2
[M]- 371.16730 181.2
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.