CID 208792

Lk 33

Structural Information

Molecular Formula
C27H54N6O6
SMILES
CC(C)OCN(COC(C)C)C1=NC(=NC(=N1)N(COC(C)C)COC(C)C)N(COC(C)C)COC(C)C
InChI
InChI=1S/C27H54N6O6/c1-19(2)34-13-31(14-35-20(3)4)25-28-26(32(15-36-21(5)6)16-37-22(7)8)30-27(29-25)33(17-38-23(9)10)18-39-24(11)12/h19-24H,13-18H2,1-12H3
InChIKey
VVSVKFADSMYFDH-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

558.41046 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.417736 240.6
[M+Na]+ 581.399678 264.1
[M-H]- 557.403184 253.2
[M+NH4]+ 576.444283 265.1
[M+K]+ 597.373618 243.1
[M+H-H2O]+ 541.407720 228.7
[M+HCOO]- 603.408661 241.7
[M+CH3COO]- 617.424311 275.4
[M+Na-2H]- 579.385126 232.8
[M]+ 558.40991142 245.3
[M]- 558.41100858 245.3
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

patents stripe