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]+ 256.144436 159.3
[M+Na]+ 278.126378 169.5
[M-H]- 254.129884 161.1
[M+NH4]+ 273.170983 177.7
[M+K]+ 294.100318 164.4
[M+H-H2O]+ 238.134420 150.3
[M+HCOO]- 300.135361 175.2
[M+CH3COO]- 314.151011 170.8
[M+Na-2H]- 276.111826 165.4
[M]+ 255.13661142 161.6
[M]- 255.13770858 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.