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]+ 212.085206 142.3
[M+Na]+ 234.067148 151.4
[M-H]- 210.070654 144.8
[M+NH4]+ 229.111753 161.6
[M+K]+ 250.041088 152.0
[M+H-H2O]+ 194.075190 134.9
[M+HCOO]- 256.076131 155.6
[M+CH3COO]- 270.091781 154.4
[M+Na-2H]- 232.052596 144.4
[M]+ 211.07738142 141.6
[M]- 211.07847858 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.