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]+ 185.07431 139.1
[M+Na]+ 207.05625 147.8
[M-H]- 183.05975 143.4
[M+NH4]+ 202.10085 160.7
[M+K]+ 223.03019 146.6
[M+H-H2O]+ 167.06429 132.5
[M+HCOO]- 229.06523 160.0
[M+CH3COO]- 243.08088 184.7
[M+Na-2H]- 205.04170 140.9
[M]+ 184.06648 143.7
[M]- 184.06758 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.