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

289
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

literature stripe

Patent stripe

patents stripe