CID 3048171

D 263

Structural Information

Molecular Formula
C20H23N3OS2
SMILES
C1CCN(CC1)CCCSC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H23N3OS2/c24-20(25-15-7-14-22-12-4-1-5-13-22)23-16-8-2-3-9-17(16)26-18-10-6-11-21-19(18)23/h2-3,6,8-11H,1,4-5,7,12-15H2
InChIKey
ANLVJALKBQRNOX-UHFFFAOYSA-N
Compound name
S-(3-piperidin-1-ylpropyl) pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12827 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13555 182.8
[M+Na]+ 408.11749 188.1
[M-H]- 384.12099 184.6
[M+NH4]+ 403.16209 192.8
[M+K]+ 424.09143 180.7
[M+H-H2O]+ 368.12553 173.7
[M+HCOO]- 430.12647 184.9
[M+CH3COO]- 444.14212 189.6
[M+Na-2H]- 406.10294 184.7
[M]+ 385.12772 181.6
[M]- 385.12882 181.6
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.