CID 3053060

As-triazine, 5-(9-anthracenyl)-3-methoxy-

Structural Information

Molecular Formula
C18H13N3O
SMILES
COC1=NC(=CN=N1)C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C18H13N3O/c1-22-18-20-16(11-19-21-18)17-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)17/h2-11H,1H3
InChIKey
NPKZJWKXNYRJDO-UHFFFAOYSA-N
Compound name
5-anthracen-9-yl-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.10587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11315 167.5
[M+Na]+ 310.09509 178.6
[M-H]- 286.09859 172.3
[M+NH4]+ 305.13969 180.7
[M+K]+ 326.06903 171.7
[M+H-H2O]+ 270.10313 156.1
[M+HCOO]- 332.10407 187.0
[M+CH3COO]- 346.11972 178.9
[M+Na-2H]- 308.08054 178.1
[M]+ 287.10532 170.3
[M]- 287.10642 170.3
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

patents stripe