CID 58149

(1)benzothiopyrano(3,4-d)imidazol-4(1h)-one, 2-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C16H17N3OS
SMILES
C1CCN(CC1)CC2=NC3=C(N2)C(=O)SC4=CC=CC=C43
InChI
InChI=1S/C16H17N3OS/c20-16-15-14(11-6-2-3-7-12(11)21-16)17-13(18-15)10-19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)
InChIKey
RLSFPRHQHCQZCQ-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 166.1
[M+Na]+ 322.09844 175.9
[M-H]- 298.10194 169.4
[M+NH4]+ 317.14304 181.2
[M+K]+ 338.07238 168.7
[M+H-H2O]+ 282.10648 157.9
[M+HCOO]- 344.10742 177.6
[M+CH3COO]- 358.12307 176.5
[M+Na-2H]- 320.08389 169.0
[M]+ 299.10867 165.7
[M]- 299.10977 165.7
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.