CID 3068434

4h-tetrazolo(5,1-c)(1,4)benzothiazine

Structural Information

Molecular Formula
C8H6N4S
SMILES
C1C2=NN=NN2C3=CC=CC=C3S1
InChI
InChI=1S/C8H6N4S/c1-2-4-7-6(3-1)12-8(5-13-7)9-10-11-12/h1-4H,5H2
InChIKey
PJSJLNZVYALOIF-UHFFFAOYSA-N
Compound name
4H-tetrazolo[5,1-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03131 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03859 136.5
[M+Na]+ 213.02053 150.8
[M+NH4]+ 208.06513 146.1
[M+K]+ 228.99447 143.4
[M-H]- 189.02403 138.1
[M+Na-2H]- 211.00598 142.7
[M]+ 190.03076 139.5
[M]- 190.03186 139.5
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.