CID 475131

5-amino-2-[2-[tert-butyl(dimethyl)silyl]ethoxymethyl]-1,1-dioxo-1,2,6-thiadiazine-4-carbonitrile

Structural Information

Molecular Formula
C13H24N4O3SSi
SMILES
CC(C)(C)[Si](C)(C)CCOCN1C=C(C(=NS1(=O)=O)N)C#N
InChI
InChI=1S/C13H24N4O3SSi/c1-13(2,3)22(4,5)7-6-20-10-17-9-11(8-14)12(15)16-21(17,18)19/h9H,6-7,10H2,1-5H3,(H2,15,16)
InChIKey
CQUJUIDAXYVHPV-UHFFFAOYSA-N
Compound name
5-amino-2-[2-[tert-butyl(dimethyl)silyl]ethoxymethyl]-1,1-dioxo-1,2,6-thiadiazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.13385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14113 181.6
[M+Na]+ 367.12307 190.3
[M-H]- 343.12657 182.1
[M+NH4]+ 362.16767 193.8
[M+K]+ 383.09701 188.2
[M+H-H2O]+ 327.13111 168.8
[M+HCOO]- 389.13205 190.4
[M+CH3COO]- 403.14770 218.6
[M+Na-2H]- 365.10852 183.6
[M]+ 344.13330 180.5
[M]- 344.13440 180.5
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.