CID 24208802

874765-99-8

Structural Information

Molecular Formula
C10H9N5OS
SMILES
C1C(=O)N(C2=CC=CC=C2S1)CC3=NNN=N3
InChI
InChI=1S/C10H9N5OS/c16-10-6-17-8-4-2-1-3-7(8)15(10)5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
InChIKey
XCXZEKFJJCQKJQ-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-ylmethyl)-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05278 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06006 152.9
[M+Na]+ 270.04200 163.3
[M-H]- 246.04550 153.0
[M+NH4]+ 265.08660 166.2
[M+K]+ 286.01594 157.6
[M+H-H2O]+ 230.05004 144.2
[M+HCOO]- 292.05098 164.0
[M+CH3COO]- 306.06663 163.5
[M+Na-2H]- 268.02745 156.0
[M]+ 247.05223 152.1
[M]- 247.05333 152.1
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.