CID 11970896

85099-19-0

Structural Information

Molecular Formula
C36H63Cl2N11O3
SMILES
CC1(CC(CC(N1)(C)C)N(CCCOC)C2=NC(=NC(=N2)N(CCCOC)C3=NC(=NC(=N3)Cl)N(CCCOC)C4CC(NC(C4)(C)C)(C)C)Cl)C
InChI
InChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3
InChIKey
FCOVUJOIIADTQB-UHFFFAOYSA-N
Compound name
6-chloro-4-N-[4-chloro-6-[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-2-N,4-N-bis(3-methoxypropyl)-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

767.4492 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.456476 253.2
[M+Na]+ 790.438418 254.8
[M-H]- 766.441924 254.7
[M+NH4]+ 785.483023 248.1
[M+K]+ 806.412358 252.2
[M+H-H2O]+ 750.446460 239.1
[M+HCOO]- 812.447401 248.0
[M+CH3COO]- 826.463051 295.9
[M+Na-2H]- 788.423866 252.5
[M]+ 767.44865142 260.5
[M]- 767.44974858 260.5
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.