CID 3071999

(1,2,4)triazino(3,4-c)(1,4)benzothiazin-2(1h)-one, 3,5-dihydro-7-methyl-

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1=C2C(=CC=C1)N3CC(=O)NN=C3CS2
InChI
InChI=1S/C11H11N3OS/c1-7-3-2-4-8-11(7)16-6-9-12-13-10(15)5-14(8)9/h2-4H,5-6H2,1H3,(H,13,15)
InChIKey
SFCAHUBDAHSYMV-UHFFFAOYSA-N
Compound name
7-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 148.3
[M+Na]+ 256.05151 157.7
[M-H]- 232.05501 148.1
[M+NH4]+ 251.09611 164.4
[M+K]+ 272.02545 152.1
[M+H-H2O]+ 216.05955 140.9
[M+HCOO]- 278.06049 157.6
[M+CH3COO]- 292.07614 159.0
[M+Na-2H]- 254.03696 153.6
[M]+ 233.06174 146.4
[M]- 233.06284 146.4
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.