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]+ 226.13388 150.7
[M+Na]+ 248.11582 160.7
[M-H]- 224.11932 152.3
[M+NH4]+ 243.16042 170.1
[M+K]+ 264.08976 155.1
[M+H-H2O]+ 208.12386 141.7
[M+HCOO]- 270.12480 166.8
[M+CH3COO]- 284.14045 162.5
[M+Na-2H]- 246.10127 158.0
[M]+ 225.12605 150.9
[M]- 225.12715 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.