CID 3078936

123253-00-9

Structural Information

Molecular Formula
C18H14ClN5O3S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)NC3=CC=CC=N3)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25)
InChIKey
WMANCVNHWLMOGE-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.02267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.02995 194.0
[M+Na]+ 470.01189 205.1
[M-H]- 446.01539 201.4
[M+NH4]+ 465.05649 205.1
[M+K]+ 485.98583 197.3
[M+H-H2O]+ 430.01993 186.9
[M+HCOO]- 492.02087 201.2
[M+CH3COO]- 506.03652 203.3
[M+Na-2H]- 467.99734 197.6
[M]+ 447.02212 199.9
[M]- 447.02322 199.9
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.