CID 371388

Nsc645607

Structural Information

Molecular Formula
C15H17N3OS
SMILES
CC1=NN2C(=O)C(SC2=NC(C1)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3OS/c1-10-9-15(2,3)16-14-18(17-10)13(19)12(20-14)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey
FQBNNLPZCIOAIW-UHFFFAOYSA-N
Compound name
6,8,8-trimethyl-2-phenyl-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

287.10922 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11650 166.0
[M+Na]+ 310.09844 175.2
[M-H]- 286.10194 171.5
[M+NH4]+ 305.14304 182.4
[M+K]+ 326.07238 173.9
[M+H-H2O]+ 270.10648 157.4
[M+HCOO]- 332.10742 178.9
[M+CH3COO]- 346.12307 176.9
[M+Na-2H]- 308.08389 166.5
[M]+ 287.10867 165.3
[M]- 287.10977 165.3
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.