CID 71309963

6-methyl-2-(2-methylquinolin-6-yl)-1,3,6,2-dioxazaborocane-4,8-dione

Structural Information

Molecular Formula
C15H15BN2O4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=C(C=C2)N=C(C=C3)C
InChI
InChI=1S/C15H15BN2O4/c1-10-3-4-11-7-12(5-6-13(11)17-10)16-21-14(19)8-18(2)9-15(20)22-16/h3-7H,8-9H2,1-2H3
InChIKey
XDZZRHJGLBVWIH-UHFFFAOYSA-N
Compound name
6-methyl-2-(2-methylquinolin-6-yl)-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11978 165.6
[M+Na]+ 321.10172 171.3
[M-H]- 297.10522 168.6
[M+NH4]+ 316.14632 170.6
[M+K]+ 337.07566 171.4
[M+H-H2O]+ 281.10976 160.3
[M+HCOO]- 343.11070 172.3
[M+CH3COO]- 357.12635 169.8
[M+Na-2H]- 319.08717 165.2
[M]+ 298.11195 165.9
[M]- 298.11305 165.9
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.