CID 56947294

2-n-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-n-butyl-6-decyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C23H46N6O2
SMILES
CCCCCCCCCCC1=NC(=NC(=N1)N(CCCC)CCOCCOCCN)N
InChI
InChI=1S/C23H46N6O2/c1-3-5-7-8-9-10-11-12-13-21-26-22(25)28-23(27-21)29(15-6-4-2)16-18-31-20-19-30-17-14-24/h3-20,24H2,1-2H3,(H2,25,26,27,28)
InChIKey
YUQPXDAHHKFYIR-UHFFFAOYSA-N
Compound name
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butyl-6-decyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

438.36823 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.37551 213.5
[M+Na]+ 461.35745 214.0
[M-H]- 437.36095 211.2
[M+NH4]+ 456.40205 218.5
[M+K]+ 477.33139 210.2
[M+H-H2O]+ 421.36549 201.1
[M+HCOO]- 483.36643 232.2
[M+CH3COO]- 497.38208 244.4
[M+Na-2H]- 459.34290 212.2
[M]+ 438.36768 220.5
[M]- 438.36878 220.5
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

No patent data available for this compound.