CID 202358

S-triazine-1,3,5-triamine, hexakis(ethoxymethyl)-

Structural Information

Molecular Formula
C21H42N6O6
SMILES
CCOCN(COCC)C1=NC(=NC(=N1)N(COCC)COCC)N(COCC)COCC
InChI
InChI=1S/C21H42N6O6/c1-7-28-13-25(14-29-8-2)19-22-20(26(15-30-9-3)16-31-10-4)24-21(23-19)27(17-32-11-5)18-33-12-6/h7-18H2,1-6H3
InChIKey
PEDRIHRZXCQSBN-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

482
Patents

474.3166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.32388 214.7
[M+Na]+ 497.30582 215.5
[M-H]- 473.30932 216.7
[M+NH4]+ 492.35042 219.5
[M+K]+ 513.27976 218.2
[M+H-H2O]+ 457.31386 201.7
[M+HCOO]- 519.31480 237.1
[M+CH3COO]- 533.33045 254.0
[M+Na-2H]- 495.29127 215.8
[M]+ 474.31605 231.0
[M]- 474.31715 231.0
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