CID 3057071

Lk 32

Structural Information

Molecular Formula
C21H36Cl6N6O6
SMILES
C(CCl)OCN(COCCCl)C1=NC(=NC(=N1)N(COCCCl)COCCCl)N(COCCCl)COCCCl
InChI
InChI=1S/C21H36Cl6N6O6/c22-1-7-34-13-31(14-35-8-2-23)19-28-20(32(15-36-9-3-24)16-37-10-4-25)30-21(29-19)33(17-38-11-5-26)18-39-12-6-27/h1-18H2
InChIKey
HCJPTVFWOOSDQU-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(2-chloroethoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.08276 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.09004 236.4
[M+Na]+ 701.07198 242.7
[M+NH4]+ 696.11658 237.5
[M+K]+ 717.04592 235.8
[M-H]- 677.07548 233.7
[M+Na-2H]- 699.05743 236.0
[M]+ 678.08221 237.3
[M]- 678.08331 237.3
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.