CID 76757

2,4-dimethoxy-6-pyren-1-yl-1,3,5-triazine

Structural Information

Molecular Formula
C21H15N3O2
SMILES
COC1=NC(=NC(=N1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OC
InChI
InChI=1S/C21H15N3O2/c1-25-20-22-19(23-21(24-20)26-2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11H,1-2H3
InChIKey
FYGHRTSDRSCANY-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-6-pyren-1-yl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

311
Patents

341.11642 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12370 184.1
[M+Na]+ 364.10564 195.1
[M-H]- 340.10914 188.6
[M+NH4]+ 359.15024 196.6
[M+K]+ 380.07958 188.4
[M+H-H2O]+ 324.11368 171.6
[M+HCOO]- 386.11462 200.7
[M+CH3COO]- 400.13027 194.3
[M+Na-2H]- 362.09109 194.0
[M]+ 341.11587 190.7
[M]- 341.11697 190.7
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.