CID 161783

33852-25-4

Structural Information

Molecular Formula
C16H19N3O3
SMILES
COC1=C(C=C2C(=C1)C(=O)N3CC4CCCCN4C3=N2)OC
InChI
InChI=1S/C16H19N3O3/c1-21-13-7-11-12(8-14(13)22-2)17-16-18-6-4-3-5-10(18)9-19(16)15(11)20/h7-8,10H,3-6,9H2,1-2H3
InChIKey
UUQZDQWAJRVIOF-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.0
[M+Na]+ 324.13186 179.5
[M-H]- 300.13536 172.2
[M+NH4]+ 319.17646 186.1
[M+K]+ 340.10580 175.0
[M+H-H2O]+ 284.13990 160.8
[M+HCOO]- 346.14084 184.4
[M+CH3COO]- 360.15649 180.5
[M+Na-2H]- 322.11731 173.7
[M]+ 301.14209 171.9
[M]- 301.14319 171.9
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.