CID 385045

Nsc675966

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC12CCOC(=O)C3=CC=CC=C3N1N=C(C2)C(=O)OC
InChI
InChI=1S/C15H16N2O4/c1-15-7-8-21-13(18)10-5-3-4-6-12(10)17(15)16-11(9-15)14(19)20-2/h3-6H,7-9H2,1-2H3
InChIKey
IRGIKRIYYDQHQY-UHFFFAOYSA-N
Compound name
methyl 6-methyl-10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 175.7
[M+Na]+ 311.10022 181.3
[M-H]- 287.10372 177.4
[M+NH4]+ 306.14482 183.4
[M+K]+ 327.07416 181.2
[M+H-H2O]+ 271.10826 171.0
[M+HCOO]- 333.10920 182.4
[M+CH3COO]- 347.12485 179.4
[M+Na-2H]- 309.08567 174.2
[M]+ 288.11045 176.4
[M]- 288.11155 176.4
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.