CID 44153797

76673-66-0

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCN1CN2CCC3=C(C2CC1=O)NC4=CC=CC=C34
InChI
InChI=1S/C16H19N3O/c1-2-18-10-19-8-7-12-11-5-3-4-6-13(11)17-16(12)14(19)9-15(18)20/h3-6,14,17H,2,7-10H2,1H3
InChIKey
YAAQMVUNFNUTHE-UHFFFAOYSA-N
Compound name
5-ethyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 163.9
[M+Na]+ 292.142018 172.7
[M-H]- 268.145524 164.5
[M+NH4]+ 287.186623 180.6
[M+K]+ 308.115958 165.9
[M+H-H2O]+ 252.150060 155.1
[M+HCOO]- 314.151001 176.7
[M+CH3COO]- 328.166651 173.9
[M+Na-2H]- 290.127466 167.7
[M]+ 269.15225142 160.9
[M]- 269.15334858 160.9
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.