CID 3041515

1h-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-8-methoxy-4-methyl-

Structural Information

Molecular Formula
C15H17N3O
SMILES
CN1CCN2C3=C(C=CC(=C3)OC)C4=C2C1=NCC4
InChI
InChI=1S/C15H17N3O/c1-17-7-8-18-13-9-10(19-2)3-4-11(13)12-5-6-16-15(17)14(12)18/h3-4,9H,5-8H2,1-2H3
InChIKey
NEXWLTLPNSFLFG-UHFFFAOYSA-N
Compound name
13-methoxy-4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.3
[M+Na]+ 278.12638 169.5
[M-H]- 254.12988 161.1
[M+NH4]+ 273.17098 177.7
[M+K]+ 294.10032 164.4
[M+H-H2O]+ 238.13442 150.3
[M+HCOO]- 300.13536 175.2
[M+CH3COO]- 314.15101 170.8
[M+Na-2H]- 276.11183 165.4
[M]+ 255.13661 161.6
[M]- 255.13771 161.6
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.