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]+ 242.128776 154.8
[M+Na]+ 264.110718 165.1
[M-H]- 240.114224 155.5
[M+NH4]+ 259.155323 173.2
[M+K]+ 280.084658 159.4
[M+H-H2O]+ 224.118760 146.4
[M+HCOO]- 286.119701 169.6
[M+CH3COO]- 300.135351 166.2
[M+Na-2H]- 262.096166 161.2
[M]+ 241.12095142 155.1
[M]- 241.12204858 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.