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

232
Patents

558.41046 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.41774 240.6
[M+Na]+ 581.39968 264.1
[M-H]- 557.40318 253.2
[M+NH4]+ 576.44428 265.1
[M+K]+ 597.37362 243.1
[M+H-H2O]+ 541.40772 228.7
[M+HCOO]- 603.40866 241.7
[M+CH3COO]- 617.42431 275.4
[M+Na-2H]- 579.38513 232.8
[M]+ 558.40991 245.3
[M]- 558.41101 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