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]+ 288.113146 167.5
[M+Na]+ 310.095088 178.6
[M-H]- 286.098594 172.3
[M+NH4]+ 305.139693 180.7
[M+K]+ 326.069028 171.7
[M+H-H2O]+ 270.103130 156.1
[M+HCOO]- 332.104071 187.0
[M+CH3COO]- 346.119721 178.9
[M+Na-2H]- 308.080536 178.1
[M]+ 287.10532142 170.3
[M]- 287.10641858 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