CID 62479

3089-11-0

Structural Information

Molecular Formula
C15H30N6O6
SMILES
COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
InChI
InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3
InChIKey
BNCADMBVWNPPIZ-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

23577
Patents

390.2227 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22998 188.8
[M+Na]+ 413.21192 192.3
[M-H]- 389.21542 192.0
[M+NH4]+ 408.25652 197.1
[M+K]+ 429.18586 196.2
[M+H-H2O]+ 373.21996 177.0
[M+HCOO]- 435.22090 213.2
[M+CH3COO]- 449.23655 237.0
[M+Na-2H]- 411.19737 192.8
[M]+ 390.22215 203.0
[M]- 390.22325 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe