CID 3041514

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

Structural Information

Molecular Formula
C14H15N3
SMILES
CN1CCN2C3=CC=CC=C3C4=C2C1=NCC4
InChI
InChI=1S/C14H15N3/c1-16-8-9-17-12-5-3-2-4-10(12)11-6-7-15-14(16)13(11)17/h2-5H,6-9H2,1H3
InChIKey
OPZKYNCXJTVWJQ-UHFFFAOYSA-N
Compound name
4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1266 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 150.7
[M+Na]+ 248.115818 160.7
[M-H]- 224.119324 152.3
[M+NH4]+ 243.160423 170.1
[M+K]+ 264.089758 155.1
[M+H-H2O]+ 208.123860 141.7
[M+HCOO]- 270.124801 166.8
[M+CH3COO]- 284.140451 162.5
[M+Na-2H]- 246.101266 158.0
[M]+ 225.12605142 150.9
[M]- 225.12714858 150.9
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.