CID 133682299

Cobicistat metabolite m9.2

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC(C)C1=NC(=CS1)/C=N/OC
InChI
InChI=1S/C8H12N2OS/c1-6(2)8-10-7(5-12-8)4-9-11-3/h4-6H,1-3H3/b9-4+
InChIKey
XVVKZSSHBRZXHX-RUDMXATFSA-N
Compound name
(E)-N-methoxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 139.1
[M+Na]+ 207.056248 147.8
[M-H]- 183.059754 143.4
[M+NH4]+ 202.100853 160.7
[M+K]+ 223.030188 146.6
[M+H-H2O]+ 167.064290 132.5
[M+HCOO]- 229.065231 160.0
[M+CH3COO]- 243.080881 184.7
[M+Na-2H]- 205.041696 140.9
[M]+ 184.06648142 143.7
[M]- 184.06757858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.