CID 371387

Nsc645606

Structural Information

Molecular Formula
C10H15N3OS
SMILES
CC1C(=O)N2C(=NC(CC(=N2)C)(C)C)S1
InChI
InChI=1S/C10H15N3OS/c1-6-5-10(3,4)11-9-13(12-6)8(14)7(2)15-9/h7H,5H2,1-4H3
InChIKey
YGAHSFQIIMCRIO-UHFFFAOYSA-N
Compound name
2,6,8,8-tetramethyl-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

225.09358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10086 145.9
[M+Na]+ 248.08280 155.3
[M-H]- 224.08630 148.5
[M+NH4]+ 243.12740 164.9
[M+K]+ 264.05674 155.8
[M+H-H2O]+ 208.09084 138.6
[M+HCOO]- 270.09178 158.7
[M+CH3COO]- 284.10743 157.9
[M+Na-2H]- 246.06825 146.9
[M]+ 225.09303 145.8
[M]- 225.09413 145.8
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.