CID 214708

Brn 0758344

Structural Information

Molecular Formula
C15H17N3O2
SMILES
COC1=CC2=C(C=C1)C(=O)N3CC4CCCCN4C3=N2
InChI
InChI=1S/C15H17N3O2/c1-20-11-5-6-12-13(8-11)16-15-17-7-3-2-4-10(17)9-18(15)14(12)19/h5-6,8,10H,2-4,7,9H2,1H3
InChIKey
UGBQZQFYLHAYTE-UHFFFAOYSA-N
Compound name
6-methoxy-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.0
[M+Na]+ 294.121298 171.4
[M-H]- 270.124804 164.1
[M+NH4]+ 289.165903 179.2
[M+K]+ 310.095238 166.3
[M+H-H2O]+ 254.129340 152.8
[M+HCOO]- 316.130281 176.7
[M+CH3COO]- 330.145931 172.9
[M+Na-2H]- 292.106746 166.8
[M]+ 271.13153142 161.7
[M]- 271.13262858 161.7
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.