CID 385044

Nsc675965

Structural Information

Molecular Formula
C14H14N2O4
SMILES
COC(=O)C1=NN2C(C1)CCOC(=O)C3=CC=CC=C32
InChI
InChI=1S/C14H14N2O4/c1-19-14(18)11-8-9-6-7-20-13(17)10-4-2-3-5-12(10)16(9)15-11/h2-5,9H,6-8H2,1H3
InChIKey
YCHFSXUKMSNQHT-UHFFFAOYSA-N
Compound name
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

274.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 167.6
[M+Na]+ 297.08459 173.0
[M-H]- 273.08809 169.3
[M+NH4]+ 292.12919 174.8
[M+K]+ 313.05853 173.0
[M+H-H2O]+ 257.09263 163.0
[M+HCOO]- 319.09357 174.7
[M+CH3COO]- 333.10922 171.7
[M+Na-2H]- 295.07004 166.5
[M]+ 274.09482 168.2
[M]- 274.09592 168.2
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.