CID 3069083

1h-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-9-ethoxy-4-methyl-

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C43)C
InChI
InChI=1S/C16H19N3O/c1-3-20-11-4-5-14-13(10-11)12-6-7-17-16-15(12)19(14)9-8-18(16)2/h4-5,10H,3,6-9H2,1-2H3
InChIKey
OJGMHTZRRWZHHH-UHFFFAOYSA-N
Compound name
12-ethoxy-4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 163.1
[M+Na]+ 292.14202 178.1
[M+NH4]+ 287.18662 172.6
[M+K]+ 308.11596 171.3
[M-H]- 268.14552 165.2
[M+Na-2H]- 290.12747 167.2
[M]+ 269.15225 165.9
[M]- 269.15335 165.9
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.