CID 3048175

D 225

Structural Information

Molecular Formula
C19H24N4OS
SMILES
CCN(CC)CCCNC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H24N4OS/c1-3-22(4-2)14-8-13-21-19(24)23-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)23/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,21,24)
InChIKey
YDYWWRFRRKMBAA-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17436 181.9
[M+Na]+ 379.15630 187.0
[M-H]- 355.15980 184.5
[M+NH4]+ 374.20090 194.6
[M+K]+ 395.13024 182.2
[M+H-H2O]+ 339.16434 172.4
[M+HCOO]- 401.16528 195.5
[M+CH3COO]- 415.18093 221.8
[M+Na-2H]- 377.14175 186.4
[M]+ 356.16653 185.3
[M]- 356.16763 185.3
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.