CID 3048125

D 286

Structural Information

Molecular Formula
C22H29N3O2S2
SMILES
CC(C)N(CCSCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C22H29N3O2S2/c1-16(2)24(17(3)4)12-14-28-15-13-27-22(26)25-18-8-5-6-9-19(18)29-20-10-7-11-23-21(20)25/h5-11,16-17H,12-15H2,1-4H3
InChIKey
FKQWYOZIAGLNPZ-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1701 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17738 197.4
[M+Na]+ 454.15932 200.8
[M-H]- 430.16282 198.9
[M+NH4]+ 449.20392 207.3
[M+K]+ 470.13326 196.1
[M+H-H2O]+ 414.16736 188.7
[M+HCOO]- 476.16830 201.6
[M+CH3COO]- 490.18395 232.9
[M+Na-2H]- 452.14477 197.5
[M]+ 431.16955 203.6
[M]- 431.17065 203.6
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.