CID 371386

Nsc645605

Structural Information

Molecular Formula
C9H13N3OS
SMILES
CC1=NN2C(=O)CSC2=NC(C1)(C)C
InChI
InChI=1S/C9H13N3OS/c1-6-4-9(2,3)10-8-12(11-6)7(13)5-14-8/h4-5H2,1-3H3
InChIKey
JNJUKZIAHXBHIZ-UHFFFAOYSA-N
Compound name
6,8,8-trimethyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07793 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08521 142.3
[M+Na]+ 234.06715 151.4
[M-H]- 210.07065 144.8
[M+NH4]+ 229.11175 161.6
[M+K]+ 250.04109 152.0
[M+H-H2O]+ 194.07519 134.9
[M+HCOO]- 256.07613 155.6
[M+CH3COO]- 270.09178 154.4
[M+Na-2H]- 232.05260 144.4
[M]+ 211.07738 141.6
[M]- 211.07848 141.6
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.