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]+ 272.13936 162.0
[M+Na]+ 294.12130 171.4
[M-H]- 270.12480 164.1
[M+NH4]+ 289.16590 179.2
[M+K]+ 310.09524 166.3
[M+H-H2O]+ 254.12934 152.8
[M+HCOO]- 316.13028 176.7
[M+CH3COO]- 330.14593 172.9
[M+Na-2H]- 292.10675 166.8
[M]+ 271.13153 161.7
[M]- 271.13263 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.