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

12
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

literature stripe

Patent stripe

patents stripe