CID 55405

85826-22-8

Structural Information

Molecular Formula
C36H51N5O7
SMILES
CCN(CC)CC(C)C(C)OC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC)OC3=CC=C(C=C3)C(=O)OC(C)C(C)CN(CC)CC
InChI
InChI=1S/C36H51N5O7/c1-10-40(11-2)22-24(5)26(7)45-32(42)28-14-18-30(19-15-28)47-35-37-34(44-9)38-36(39-35)48-31-20-16-29(17-21-31)33(43)46-27(8)25(6)23-41(12-3)13-4/h14-21,24-27H,10-13,22-23H2,1-9H3
InChIKey
SYRSXPRQMXPVNW-UHFFFAOYSA-N
Compound name
[4-(diethylamino)-3-methylbutan-2-yl] 4-[[4-[4-[4-(diethylamino)-3-methylbutan-2-yl]oxycarbonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

665.37885 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.38613 255.7
[M+Na]+ 688.36807 262.8
[M+NH4]+ 683.41267 255.2
[M+K]+ 704.34201 260.5
[M-H]- 664.37157 257.6
[M+Na-2H]- 686.35352 259.2
[M]+ 665.37830 256.7
[M]- 665.37940 256.7
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.