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]+ 270.160076 164.0
[M+Na]+ 292.142018 173.7
[M-H]- 268.145524 165.5
[M+NH4]+ 287.186623 181.8
[M+K]+ 308.115958 168.3
[M+H-H2O]+ 252.150060 154.7
[M+HCOO]- 314.151001 179.5
[M+CH3COO]- 328.166651 175.0
[M+Na-2H]- 290.127466 169.5
[M]+ 269.15225142 166.5
[M]- 269.15334858 166.5
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.