CID 3048167

D 702

Structural Information

Molecular Formula
C21H27N3OS2
SMILES
CCCN(CCC)CCCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C21H27N3OS2/c1-3-13-23(14-4-2)15-8-16-26-21(25)24-17-9-5-6-10-18(17)27-19-11-7-12-22-20(19)24/h5-7,9-12H,3-4,8,13-16H2,1-2H3
InChIKey
KDQDZTCGPPTWOI-UHFFFAOYSA-N
Compound name
S-[3-(dipropylamino)propyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.15955 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16683 189.9
[M+Na]+ 424.14877 195.1
[M-H]- 400.15227 191.6
[M+NH4]+ 419.19337 201.4
[M+K]+ 440.12271 188.7
[M+H-H2O]+ 384.15681 181.1
[M+HCOO]- 446.15775 196.5
[M+CH3COO]- 460.17340 226.4
[M+Na-2H]- 422.13422 191.7
[M]+ 401.15900 195.5
[M]- 401.16010 195.5
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.