CID 16073791

Chembl20129

Structural Information

Molecular Formula
C20H33N5O
SMILES
CCCCCCCCCOC1=CC=CC(=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C20H33N5O/c1-4-5-6-7-8-9-10-14-26-17-13-11-12-16(15-17)25-19(22)23-18(21)24-20(25,2)3/h11-13,15H,4-10,14H2,1-3H3,(H4,21,22,23,24)
InChIKey
HXBSWULSVKISFC-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3-nonoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

359.26852 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.27580 192.0
[M+Na]+ 382.25774 197.9
[M-H]- 358.26124 193.2
[M+NH4]+ 377.30234 202.1
[M+K]+ 398.23168 192.4
[M+H-H2O]+ 342.26578 181.5
[M+HCOO]- 404.26672 209.9
[M+CH3COO]- 418.28237 223.4
[M+Na-2H]- 380.24319 193.4
[M]+ 359.26797 193.2
[M]- 359.26907 193.2
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.