CID 135481901

Tuvatidine

Structural Information

Molecular Formula
C10H17N9O2S3
SMILES
CN1C(=NS(=O)(=O)NC1=NCCSCC2=CSC(=N2)N=C(N)N)N
InChI
InChI=1S/C10H17N9O2S3/c1-19-8(13)17-24(20,21)18-9(19)14-2-3-22-4-6-5-23-10(15-6)16-7(11)12/h5H,2-4H2,1H3,(H2,13,17)(H,14,18)(H4,11,12,15,16)
InChIKey
FSWCCDQGXZITPD-UHFFFAOYSA-N
Compound name
2-[4-[2-[(5-amino-4-methyl-1,1-dioxo-1,2,4,6-thiatriazin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

213
Patents

391.06674 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07402 172.7
[M+Na]+ 414.05596 179.9
[M-H]- 390.05946 172.7
[M+NH4]+ 409.10056 181.6
[M+K]+ 430.02990 171.2
[M+H-H2O]+ 374.06400 165.7
[M+HCOO]- 436.06494 178.8
[M+CH3COO]- 450.08059 225.6
[M+Na-2H]- 412.04141 175.0
[M]+ 391.06619 169.6
[M]- 391.06729 169.6
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.