CID 10065177

Chembl176987

Structural Information

Molecular Formula
C19H31N5
SMILES
CCCCCCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C19H31N5/c1-4-5-6-7-8-9-10-15-11-13-16(14-12-15)24-18(21)22-17(20)23-19(24,2)3/h11-14H,4-10H2,1-3H3,(H4,20,21,22,23)
InChIKey
QVCAKYMDCCPESN-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.25793 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.26521 185.0
[M+Na]+ 352.24715 191.6
[M-H]- 328.25065 186.5
[M+NH4]+ 347.29175 196.5
[M+K]+ 368.22109 185.7
[M+H-H2O]+ 312.25519 174.9
[M+HCOO]- 374.25613 203.1
[M+CH3COO]- 388.27178 218.3
[M+Na-2H]- 350.23260 186.8
[M]+ 329.25738 184.5
[M]- 329.25848 184.5
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.