CID 3008683

6,6-dimethyl-1-tetradecoxy-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C19H39N5O
SMILES
CCCCCCCCCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C19H39N5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-24-18(21)22-17(20)23-19(24,2)3/h4-16H2,1-3H3,(H4,20,21,22,23)
InChIKey
PUSSEZNCXVGIMI-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-tetradecoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.31546 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.32274 191.6
[M+Na]+ 376.30468 195.7
[M-H]- 352.30818 188.9
[M+NH4]+ 371.34928 202.2
[M+K]+ 392.27862 191.4
[M+H-H2O]+ 336.31272 182.2
[M+HCOO]- 398.31366 208.6
[M+CH3COO]- 412.32931 223.5
[M+Na-2H]- 374.29013 191.8
[M]+ 353.31491 194.8
[M]- 353.31601 194.8
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

No patent data available for this compound.