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 164.0
[M+Na]+ 292.14202 173.7
[M-H]- 268.14552 165.5
[M+NH4]+ 287.18662 181.8
[M+K]+ 308.11596 168.3
[M+H-H2O]+ 252.15006 154.7
[M+HCOO]- 314.15100 179.5
[M+CH3COO]- 328.16665 175.0
[M+Na-2H]- 290.12747 169.5
[M]+ 269.15225 166.5
[M]- 269.15335 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.