CID 16073794

Chembl414610

Structural Information

Molecular Formula
C25H43N5O
SMILES
CCCCCCCCCCCCCCOC1=CC=CC(=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C25H43N5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-22-18-16-17-21(20-22)30-24(27)28-23(26)29-25(30,2)3/h16-18,20H,4-15,19H2,1-3H3,(H4,26,27,28,29)
InChIKey
SBDAPIWFIVQKQY-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3-tetradecoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

429.34677 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.35405 212.4
[M+Na]+ 452.33599 216.0
[M-H]- 428.33949 212.7
[M+NH4]+ 447.38059 219.6
[M+K]+ 468.30993 209.6
[M+H-H2O]+ 412.34403 200.9
[M+HCOO]- 474.34497 228.6
[M+CH3COO]- 488.36062 238.0
[M+Na-2H]- 450.32144 211.4
[M]+ 429.34622 215.4
[M]- 429.34732 215.4
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.