CID 71406442

2,4-bis(benzyloxy)-6-chloro-1,3,5-triazine

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
C1=CC=C(C=C1)COC2=NC(=NC(=N2)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C17H14ClN3O2/c18-15-19-16(22-11-13-7-3-1-4-8-13)21-17(20-15)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
XKDFUXJROYAXAO-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(phenylmethoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

327.07745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 173.3
[M+Na]+ 350.06667 182.1
[M-H]- 326.07017 178.4
[M+NH4]+ 345.11127 183.2
[M+K]+ 366.04061 175.6
[M+H-H2O]+ 310.07471 161.6
[M+HCOO]- 372.07565 189.2
[M+CH3COO]- 386.09130 183.6
[M+Na-2H]- 348.05212 180.3
[M]+ 327.07690 177.5
[M]- 327.07800 177.5
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