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
1
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]+ 629.49598 269.3
[M+Na]+ 651.47792 285.1
[M-H]- 627.48142 267.3
[M+NH4]+ 646.52252 280.5
[M+K]+ 667.45186 277.1
[M+H-H2O]+ 611.48596 274.4
[M+HCOO]- 673.48690 278.2
[M+CH3COO]- 687.50255 284.1
[M+Na-2H]- 649.46337 256.5
[M]+ 628.48815 268.6
[M]- 628.48925 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.