CID 475130

6-(benzyloxymethyl)-1,1-dioxo-1,2,6-thiadiazin-3-amine

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
C1=CC=C(C=C1)COCN2C=CC(=NS2(=O)=O)N
InChI
InChI=1S/C11H13N3O3S/c12-11-6-7-14(18(15,16)13-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,12,13)
InChIKey
AJYWIFPLZYVWMJ-UHFFFAOYSA-N
Compound name
1,1-dioxo-6-(phenylmethoxymethyl)-1,2,6-thiadiazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06775 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 155.2
[M+Na]+ 290.05697 164.5
[M-H]- 266.06047 159.2
[M+NH4]+ 285.10157 170.9
[M+K]+ 306.03091 160.4
[M+H-H2O]+ 250.06501 147.2
[M+HCOO]- 312.06595 172.9
[M+CH3COO]- 326.08160 193.3
[M+Na-2H]- 288.04242 160.6
[M]+ 267.06720 157.3
[M]- 267.06830 157.3
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.