CID 3048465

D 298

Structural Information

Molecular Formula
C19H23N3OS2
SMILES
CCN(CC)CCCSC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H23N3OS2/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22/h5-7,9-12H,3-4,8,13-14H2,1-2H3
InChIKey
IENITIPQWIJVTC-UHFFFAOYSA-N
Compound name
S-[3-(diethylamino)propyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12827 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13555 181.7
[M+Na]+ 396.11749 187.8
[M-H]- 372.12099 183.9
[M+NH4]+ 391.16209 194.4
[M+K]+ 412.09143 181.9
[M+H-H2O]+ 356.12553 173.4
[M+HCOO]- 418.12647 188.9
[M+CH3COO]- 432.14212 190.1
[M+Na-2H]- 394.10294 184.4
[M]+ 373.12772 186.7
[M]- 373.12882 186.7
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.