CID 118650

34346-37-7

Structural Information

Molecular Formula
C32H64N6O6
SMILES
CCCCCCCCCCCCCCCCCCOCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
InChI
InChI=1S/C32H64N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44-29-38(28-43-6)32-34-30(36(24-39-2)25-40-3)33-31(35-32)37(26-41-4)27-42-5/h7-29H2,1-6H3
InChIKey
RQQMIZDGUOQXIQ-UHFFFAOYSA-N
Compound name
2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-2-N-(octadecoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

628.4887 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.495976 269.3
[M+Na]+ 651.477918 285.1
[M-H]- 627.481424 267.3
[M+NH4]+ 646.522523 280.5
[M+K]+ 667.451858 277.1
[M+H-H2O]+ 611.485960 274.4
[M+HCOO]- 673.486901 278.2
[M+CH3COO]- 687.502551 284.1
[M+Na-2H]- 649.463366 256.5
[M]+ 628.48815142 268.6
[M]- 628.48924858 268.6
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.