CID 304653

Nsc200743

Structural Information

Molecular Formula
C14H15NO4
SMILES
COC1=C(C(=C2CCC3=C(C2=C1)ON=C3)OC)OC
InChI
InChI=1S/C14H15NO4/c1-16-11-6-10-9(13(17-2)14(11)18-3)5-4-8-7-15-19-12(8)10/h6-7H,4-5H2,1-3H3
InChIKey
HEHIIWLITYVBJC-UHFFFAOYSA-N
Compound name
6,7,8-trimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.1001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 155.8
[M+Na]+ 284.08932 166.1
[M-H]- 260.09282 161.2
[M+NH4]+ 279.13392 174.4
[M+K]+ 300.06326 165.0
[M+H-H2O]+ 244.09736 149.1
[M+HCOO]- 306.09830 176.2
[M+CH3COO]- 320.11395 197.3
[M+Na-2H]- 282.07477 161.9
[M]+ 261.09955 162.7
[M]- 261.10065 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

No patent data available for this compound.