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 154.8
[M+Na]+ 264.11072 165.1
[M-H]- 240.11422 155.5
[M+NH4]+ 259.15532 173.2
[M+K]+ 280.08466 159.4
[M+H-H2O]+ 224.11876 146.4
[M+HCOO]- 286.11970 169.6
[M+CH3COO]- 300.13535 166.2
[M+Na-2H]- 262.09617 161.2
[M]+ 241.12095 155.1
[M]- 241.12205 155.1
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.