CID 1715032

2-benzylidene-2h-1,4-benzothiazin-3(4h)-one

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C15H11NOS/c17-15-14(10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-10H,(H,16,17)/b14-10-
InChIKey
DOQUSBFMNDTPGT-UVTDQMKNSA-N
Compound name
(2Z)-2-benzylidene-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

253.05614 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06342 153.8
[M+Na]+ 276.04536 161.9
[M-H]- 252.04886 158.4
[M+NH4]+ 271.08996 170.3
[M+K]+ 292.01930 155.0
[M+H-H2O]+ 236.05340 146.5
[M+HCOO]- 298.05434 167.8
[M+CH3COO]- 312.06999 165.0
[M+Na-2H]- 274.03081 158.1
[M]+ 253.05559 150.9
[M]- 253.05669 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe