CID 142733905

Hydrolized dolutegravir (m1)

Structural Information

Molecular Formula
C13H15N3O5
SMILES
CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)N)O
InChI
InChI=1S/C13H15N3O5/c1-6-2-3-21-8-5-15-4-7(12(14)19)10(17)11(18)9(15)13(20)16(6)8/h4,6,8,18H,2-3,5H2,1H3,(H2,14,19)
InChIKey
IORBWJQXSCJOCL-UHFFFAOYSA-N
Compound name
11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

293.10117 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10845 164.4
[M+Na]+ 316.09039 173.1
[M-H]- 292.09389 166.2
[M+NH4]+ 311.13499 176.9
[M+K]+ 332.06433 170.7
[M+H-H2O]+ 276.09843 156.6
[M+HCOO]- 338.09937 177.0
[M+CH3COO]- 352.11502 205.1
[M+Na-2H]- 314.07584 167.4
[M]+ 293.10062 162.7
[M]- 293.10172 162.7
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

patents stripe