CID 3069087

1h-3,4,6a-triazafluoranthen-9-ol, 2,4,5,6-tetrahydro-4-methyl-

Structural Information

Molecular Formula
C14H15N3O
SMILES
CN1CCN2C3=C(C=C(C=C3)O)C4=C2C1=NCC4
InChI
InChI=1S/C14H15N3O/c1-16-6-7-17-12-3-2-9(18)8-11(12)10-4-5-15-14(16)13(10)17/h2-3,8,18H,4-7H2,1H3
InChIKey
KSIUMKYCJICDOQ-UHFFFAOYSA-N
Compound name
4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaen-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 154.2
[M+Na]+ 264.11072 169.1
[M+NH4]+ 259.15532 163.7
[M+K]+ 280.08466 163.2
[M-H]- 240.11422 156.0
[M+Na-2H]- 262.09617 158.3
[M]+ 241.12095 156.9
[M]- 241.12205 156.9
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.