CID 56842967

Hv95xdb8bu

Structural Information

Molecular Formula
C33H34N6O6
SMILES
CC(C)(C1=CC=C(C=C1)OC2=NC(=NC(=N2)OCC=C)OCC=C)C3=CC=C(C=C3)OC4=NC(=NC(=N4)OCC=C)OCC=C
InChI
InChI=1S/C33H34N6O6/c1-7-19-40-27-34-28(41-20-8-2)37-31(36-27)44-25-15-11-23(12-16-25)33(5,6)24-13-17-26(18-14-24)45-32-38-29(42-21-9-3)35-30(39-32)43-22-10-4/h7-18H,1-4,19-22H2,5-6H3
InChIKey
VQGHUYYABGMTQD-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.25397 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.261246 254.0
[M+Na]+ 633.243188 258.9
[M-H]- 609.246694 257.9
[M+NH4]+ 628.287793 246.4
[M+K]+ 649.217128 250.6
[M+H-H2O]+ 593.251230 236.7
[M+HCOO]- 655.252171 264.7
[M+CH3COO]- 669.267821 261.9
[M+Na-2H]- 631.228636 254.3
[M]+ 610.25342142 262.2
[M]- 610.25451858 262.2
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.