CID 3048180

D 289

Structural Information

Molecular Formula
C14H13N3O2S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC=N3)C(=O)NCCO
InChI
InChI=1S/C14H13N3O2S/c18-9-8-16-14(19)17-10-4-1-2-5-11(10)20-12-6-3-7-15-13(12)17/h1-7,18H,8-9H2,(H,16,19)
InChIKey
VDQYNZNGGXUOIU-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07285 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08013 159.6
[M+Na]+ 310.06207 167.4
[M-H]- 286.06557 160.7
[M+NH4]+ 305.10667 174.3
[M+K]+ 326.03601 162.0
[M+H-H2O]+ 270.07011 152.0
[M+HCOO]- 332.07105 172.3
[M+CH3COO]- 346.08670 169.8
[M+Na-2H]- 308.04752 166.3
[M]+ 287.07230 160.6
[M]- 287.07340 160.6
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.